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Benzyloxycarbonyl-D-Phenylglycine
CAS: 17609-52-8 | C16H15NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
17609-52-8
Molecular Formula:
C16H15NO4
Molecular Mass:
285.30 g/mol
Names and Synonyms:
Benzyloxycarbonyl-D-Phenylglycine
Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)-
Glycine, N-carboxy-2-phenyl-, N-benzyl ester, D-
Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (R)-
(αR)-α-[[(Phenylmethoxy)carbonyl]amino]benzeneacetic acid
N-Carbobenzoxy-D-phenylglycine
N-Carbobenzyloxy-D-phenylglycine
N-(Carbobenzoxy)-(R)-phenylglycine
N-Benzyloxycarbonyl-D-phenylglycine
N-Benzyloxycarbonyl-D-α-phenylglycine
Benzyloxycarbonyl-D-phenylglycine
Cbz-D-Phg-OH
D-Cbz phenylglycine
(R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylacetic acid
(R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylaceticacid
(2R)-2-Phenyl-2-(phenylmethoxycarbonylamino)acetic acid
(2R)-2-[[(Benzyloxy)carbonyl]amino]-2-phenylacetic acid
Identifiers:
SMILES:
O=C(O)[C@H](N=C(O)OCc1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1
Key Properties
Melting Point
127-128 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.30 g/mol | CAS Common Chemistry |
| 285.29900000000004 g/mol | RDKit | |
| 285.10010796 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)OCC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RLDJWBVOZVJJOS-CQSZACIVSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-D-phenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.943100000000001 | RDKit |
| Molar Refractivity | 78.11360000000005 | RDKit |
