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Molecule
Boc-L-Proline
CAS: 15761-39-4 · C10H17NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15761-39-4
- Molecular Formula
- C10H17NO4
- Molecular Mass
- 215.25 g/mol
Identifiers
CAS Registry Number
15761-39-4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O
InChI Key
ZQEBQGAAWMOMAI-ZETCQYMHSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
Names and Synonyms
- Boc-L-Proline Synonym
- 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- Synonym
- 1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, L- Synonym
- 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)- Synonym
- 1-tert-Butyloxycarbonyl-L-proline Synonym
- 1-tert-Butoxycarbonyl-L-proline Synonym
- N-(tert-Butyloxycarbonyl)-L-proline Synonym
- N-(tert-Butoxycarbonyl)-L-proline Synonym
- BOC-L-Proline Synonym
- N-(t-Butoxycarbonyl)proline Synonym
- N-(tert-Butoxycarbonyl)-(S)-proline Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-(S)-proline Synonym
- N-Boc-(S)-proline Synonym
- (S)-N-tert-Butoxycarbonylproline Synonym
- 1-(tert-Butoxycarbonyl)-(S)-proline Synonym
- N-(tert-Butoxycarbonyl)proline Synonym
- (2S)-1-tert-Butoxycarbonylpyrrolidine-2-carboxylic acid Synonym
- (S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester Synonym
- NSC 164660 Synonym
- (S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinecarboxylic acid Synonym
- N-Boc-L-proline Synonym
- (2S)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester Synonym
- (2S)-1-Boc-pyrrolidine-2-carboxylic acid Synonym
- 1-tert-Butyl (S)-pyrrolidine-1,2-dicarboxylate Synonym
- L-N-Boc-proline Synonym
- (S)-1-Boc-β-proline Synonym
- 1-(tert-Butoxycarbonyl)-(2S)-pyrrolidine-2-carboxylic acid Synonym
- trans-N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline Synonym
- Boc-L-Pro Synonym
- Boc-L-Pro-OH Synonym
- (2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.25 g/mol | CAS Common Chemistry |
| 215.24899999999997 g/mol | RDKit | |
| 215.249 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCCC1C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQEBQGAAWMOMAI-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C @ Solvent: Ethyl acetate, Ligroine | CAS Common Chemistry |
| Name | BOC-L-Proline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| 66.61 Ų | chempirical lib | |
| LogP | 1.4705000000000001 | RDKit |
| 1.4705 | RDKit | |
| Molar Refractivity | 53.59780000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 215.115758024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 215.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H17NO4.
