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Molecule
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
Identifiers
CAS Registry Number
17609-52-8
SMILES
O=C(O)[C@H](N=C(O)OCc1ccccc1)c1ccccc1
InChI Key
RLDJWBVOZVJJOS-CQSZACIVSA-N
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
Names and Synonyms
- Benzyloxycarbonyl-D-Phenylglycine Synonym
- Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)- Synonym
- Glycine, N-carboxy-2-phenyl-, N-benzyl ester, D- Synonym
- Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (R)- Synonym
- (αR)-α-[[(Phenylmethoxy)carbonyl]amino]benzeneacetic acid Synonym
- N-Carbobenzoxy-D-phenylglycine Synonym
- N-Carbobenzyloxy-D-phenylglycine Synonym
- N-(Carbobenzoxy)-(R)-phenylglycine Synonym
- N-Benzyloxycarbonyl-D-phenylglycine Synonym
- N-Benzyloxycarbonyl-D-α-phenylglycine Synonym
- Benzyloxycarbonyl-D-phenylglycine Synonym
- Cbz-D-Phg-OH Synonym
- D-Cbz phenylglycine Synonym
- (R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylacetic acid Synonym
- (R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylaceticacid Synonym
- (2R)-2-Phenyl-2-(phenylmethoxycarbonylamino)acetic acid Synonym
- (2R)-2-[[(Benzyloxy)carbonyl]amino]-2-phenylacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.30 g/mol | CAS Common Chemistry |
| 285.29900000000004 g/mol | RDKit | |
| 285.299 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 |
| 2.9431 | RDKit | |
| Molar Refractivity | 78.11360000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 285.10010796 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.
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MW = 285.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H15NO4.
