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Molecule
(R)-Tert-Butyl 3-Aminopyrrolidine-1-Carboxylate
CAS: 147081-49-0 · C9H18N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 147081-49-0
- Molecular Formula
- C9H18N2O2
- Molecular Mass
- 186.25 g/mol
Identifiers
CAS Registry Number
147081-49-0
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)C1
InChI Key
CMIBWIAICVBURI-SSDOTTSWSA-N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
Names and Synonyms
- (R)-Tert-Butyl 3-Aminopyrrolidine-1-Carboxylate Common Name
- 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)- Synonym
- 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (R)- Synonym
- (R)-3-Amino-1-tert-butoxycarbonylpyrrolidine Synonym
- (R)-N-Boc-3-aminopyrrolidine Synonym
- tert-Butyl (3R)-3-aminopyrrolidine-1-carboxylate Synonym
- 1-N-Boc-3-(R)-aminopyrrolidine Synonym
- (R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester Synonym
- (R)-3-Amino-N-(tert-butoxycarbonyl)pyrrolidine Synonym
- 1,1-dimethylethyl (3R)-3-aminopyrrolidine-1-carboxylate Synonym
- tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate Synonym
- (R)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine Synonym
- 1,1-Dimethylethyl (3R)-3-amino-1-pyrrolidinecarboxylate Synonym
- N-Boc-(3R)-aminopyrrolidine Synonym
- (R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester Synonym
- (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate Synonym
- (R)-1-Boc-3-aminopyrrolidine Synonym
- (R)-N-tert-Butoxycarbonyl-3-aminopyrrolidine Synonym
- (3R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester Synonym
- (R)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine Synonym
- 3-Aminopyrrolidine-1-carboxylic acid (R)-tert-butyl ester Synonym
- (R)-(+)-N-Boc-3-aminopyrrolidine Synonym
- (R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester Synonym
- tert-Butyl (R)-3-aminopyrrolidine-1-carboxylate Synonym
- tert-Butyl (R)-3-amino-1-pyrrolidinecarboxylate Synonym
- (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate Synonym
- (R)-(+)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine Synonym
- (+)-3-Aminopyrrolidine-1-carboxylic acid (R)-tert-butyl ester Synonym
- tert-Butyl (3R)-3-aminopyrrolidine-1-carboxylate Synonym
- (R)-(+)-1-Boc-3-aminopyrrolidine Synonym
- (3R)-(+)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine Synonym
- 1-Boc-(R)-3-aminopyrrolidine Synonym
- (R)-3-Amino-1-Boc-pyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.25 g/mol | CAS Common Chemistry |
| 186.25499999999997 g/mol | RDKit | |
| 186.255 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCC(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CMIBWIAICVBURI-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 58.0-59.8 °C @ Solvent: Dichloromethane | CAS Common Chemistry |
| Name | (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.56 Ų | RDKit |
| 55.33 Ų | chempirical lib | |
| LogP | 0.9545 | RDKit |
| Molar Refractivity | 50.39940000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 186.136827816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 186.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18N2O2.
