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(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
Names and Synonyms:
(R)-Tert-Butyl 3-Aminopyrrolidine-1-Carboxylate
1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-
1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (R)-
(R)-3-Amino-1-tert-butoxycarbonylpyrrolidine
(R)-N-Boc-3-aminopyrrolidine
tert-Butyl (3R)-3-aminopyrrolidine-1-carboxylate
1-N-Boc-3-(R)-aminopyrrolidine
(R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-Amino-N-(tert-butoxycarbonyl)pyrrolidine
1,1-dimethylethyl (3R)-3-aminopyrrolidine-1-carboxylate
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
(R)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine
1,1-Dimethylethyl (3R)-3-amino-1-pyrrolidinecarboxylate
N-Boc-(3R)-aminopyrrolidine
(R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester
(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate
(R)-1-Boc-3-aminopyrrolidine
(R)-N-tert-Butoxycarbonyl-3-aminopyrrolidine
(3R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester
(R)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine
3-Aminopyrrolidine-1-carboxylic acid (R)-tert-butyl ester
(R)-(+)-N-Boc-3-aminopyrrolidine
(R)-3-Aminopyrrolidine-1-carboxylic acid tert-butyl ester
tert-Butyl (R)-3-aminopyrrolidine-1-carboxylate
tert-Butyl (R)-3-amino-1-pyrrolidinecarboxylate
(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate
(R)-(+)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine
(+)-3-Aminopyrrolidine-1-carboxylic acid (R)-tert-butyl ester
tert-Butyl (3R)-3-aminopyrrolidine-1-carboxylate
(R)-(+)-1-Boc-3-aminopyrrolidine
(3R)-(+)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine
1-Boc-(R)-3-aminopyrrolidine
(R)-3-Amino-1-Boc-pyrrolidine
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CC[C@@H](N)C1
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
Key Properties
Melting Point
58.0-59.8 °C @ Solvent: Dichloromethane
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.25 g/mol | CAS Common Chemistry |
| 186.25499999999997 g/mol | RDKit | |
| 186.136827816 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 |
| LogP | 0.9545 | RDKit |
| Molar Refractivity | 50.39940000000003 | RDKit |
