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Molecule
Cbz-L-Ala-OH
CAS: 1142-20-7 · C11H13NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1142-20-7
- Molecular Formula
- C11H13NO4
- Molecular Mass
- 223.23 g/mol
Identifiers
CAS Registry Number
1142-20-7
SMILES
C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI Key
TYRGLVWXHJRKMT-QMMMGPOBSA-N
InChI
InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
Names and Synonyms
- Cbz-L-Ala-OH Synonym
- Benzyloxycarbonyl-L-Alanine Synonym
- L-Alanine, N-[(phenylmethoxy)carbonyl]- Synonym
- Alanine, N-carboxy-, N-benzyl ester, L- Synonym
- L-Alanine, N-carboxy-, N-benzyl ester Synonym
- N-[(Phenylmethoxy)carbonyl]-L-alanine Synonym
- Benzyloxycarbonyl-L-alanine Synonym
- N-[(Benzyloxy)carbonyl]-L-alanine Synonym
- N-Benzoxycarbonyl-L-alanine Synonym
- N-(Carbobenzoxy)-L-alanine Synonym
- L-Carbobenzoxyalanine Synonym
- N-(Benzyloxycarbonyl)-(S)-alanine Synonym
- L-N-(Benzyloxycarbonyl)alanine Synonym
- L-Carbobenzyloxyalanine Synonym
- N-Carbobenzyloxy-L-alanine Synonym
- NSC 156978 Synonym
- NSC 88469 Synonym
- (S)-2-(Benzyloxycarbonylamino)propanoic acid Synonym
- (S)-2-[(Benzyloxycarbonyl)amino]propionic acid Synonym
- L-Cbz alanine Synonym
- (2S)-2-[[(Benzyloxy)carbonyl]amino]propanoic acid Synonym
- N-Cbz alanine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.23 g/mol | CAS Common Chemistry |
| 223.228 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=TYRGLVWXHJRKMT-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-L-alanine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 1.5903 | RDKit |
| Molar Refractivity | 58.39260000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 223.084457896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
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MW = 223.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13NO4.
