Basic information
- CAS
5513-38-2- Standard SMILES
O=C(CNC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
STICGTUXBDFNAJ-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- Benzyl N-benzyloxycarbonylglycinate
- IUPAC
- benzyl 2-(phenylmethoxycarbonylamino)acetate
- English name
- benzyl N-benzyloxycarbonylglycinate
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32118
Names & synonyms
Benzyl N-benzyloxycarbonylglycinate5513-38-2benzyl 2-(phenylmethoxycarbonylamino)acetateN-Cbz-glycine benzyl esterbenzyl n-[(benzyloxy)carbonyl]glycinateEINECS 226-856-7CHEMBL103240SCHEMBL10081124DTXSID50203645MFCD19705253N-Benzyloxycarbonylglycine benzyl esterNS00033244
Show more names
N-Cbz-Gly-OBzlN-[(Phenylmethoxy)carbonyl]glycine benzyl esterGlycine, N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
2-phenylmethoxycarbonylamino-acetic acid benzyl ester
Database identifiers
- CAS
5513-38-2- PubChem CID
- 79648
- DTXSID
DTXSID50203645- ChEMBL
CHEMBL103240- EC Number
- 226-856-7
- Nikkaji
- J210.563B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
LogP4.35
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 467.4 · 467.4±38.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.46(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
6 records
Compound notes
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