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L-Alanine, N-[(Phenylmethoxy)Carbonyl]-, 2,5-Dioxo-1-Pyrrolidinyl Ester
CAS: 3401-36-3 | C15H16N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3401-36-3
Molecular Formula:
C15H16N2O6
Molecular Mass:
320.30 g/mol
Names and Synonyms:
L-Alanine, N-[(Phenylmethoxy)Carbonyl]-, 2,5-Dioxo-1-Pyrrolidinyl Ester
L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
Carbobenzoxyalanine, ester with N-hydroxysuccinimide
Cbz-Ala-OSu
(2,5-Dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
Succinimide, N-[(N-carboxy-L-alanyl)oxy]-, benzyl ester
Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, phenylmethyl ester, (S)-
Carbamic acid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-methyl-2-oxoethyl]-, phenylmethyl ester
Alanine, N-carboxy-, N-benzyl ester, succinimido deriv., L-
N-Benzyloxycarbonyl-L-alanine N-hydroxysuccinimide ester
Benzyloxycarbonyl-L-alanine ester with N-hydroxysuccinimide
Identifiers:
SMILES:
C[C@H](N=C(O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C15H16N2O6/c1-10(14(20)23-17-12(18)7-8-13(17)19)16-15(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)/t10-/m0/s1
Key Properties
Melting Point
115 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 320.30 g/mol | CAS Common Chemistry |
| 320.30100000000016 g/mol | RDKit | |
| 320.10083623199995 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H16N2O6/c1-10(14(20)23-17-12(18)7-8-13(17)19)16-15(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OFIYNISEFIEQBC-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.5 Ų | RDKit |
| LogP | 1.1129 | RDKit |
| Molar Refractivity | 77.93580000000003 | RDKit |
