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Molecule
Phenylmethyl N-(2-Amino-2-Oxoethyl)Carbamate
CAS: 949-90-6 · C10H12N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 949-90-6
- Molecular Formula
- C10H12N2O3
- Molecular Mass
- 208.22 g/mol
Identifiers
CAS Registry Number
949-90-6
SMILES
N=C(O)CN=C(O)OCc1ccccc1
InChI Key
HQYMUNCIMNFLDT-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
Names and Synonyms
- Phenylmethyl N-(2-Amino-2-Oxoethyl)Carbamate Common Name
- Carbamic acid, N-(2-amino-2-oxoethyl)-, phenylmethyl ester Synonym
- Carbamic acid, (carbamoylmethyl)-, benzyl ester Synonym
- Carbamic acid, (2-amino-2-oxoethyl)-, phenylmethyl ester Synonym
- Phenylmethyl N-(2-amino-2-oxoethyl)carbamate Synonym
- Carbobenzoxyglycinamide Synonym
- N-Benzyloxycarbonylglycinamide Synonym
- Benzyloxycarbonylglycinamide Synonym
- N-Benzyloxycarbonylglycine amide Synonym
- NSC 88477 Synonym
- Cbz-glycinamide Synonym
- Benzyl (2-amino-2-oxoethyl)carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.22 g/mol | CAS Common Chemistry |
| 208.21699999999998 g/mol | RDKit | |
| 208.217 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=HQYMUNCIMNFLDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | Phenylmethyl N-(2-amino-2-oxoethyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.9 Ų | RDKit |
| LogP | 1.65247 | RDKit |
| 1.6525 | RDKit | |
| Molar Refractivity | 56.51730000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 208.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
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.
External Resources
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MW = 208.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2O3.
