N-((Phenylmethoxy)carbonyl)glycine ethyl ester

HCID 14366CAS 1145-81-9

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Basic information

Standard SMILES: CCOC(=O)CNC(=O)OCc1ccccc1
InChIKey: HAIHOTOFCDNWDA-UHFFFAOYSA-N
Molecular formula: C12H15NO4
Average molar mass: 237.25 g/mol
Monoisotopic mass: 237.10010796

Names & identifiers

Preferred name: N-((Phenylmethoxy)carbonyl)glycine ethyl ester
IUPAC: ethyl 2-(phenylmethoxycarbonylamino)acetate
English name: Z-Gly-Gly-OEt
Molecular formula: C12H15NO4
Molecular weight: 237.25

Names & synonyms

1145-81-9Ethyl N-benzyloxycarbonyl-2-glycinateDTXSID00150751RefChem:823218DTXCID5073242N-((Phenylmethoxy)carbonyl)glycine ethyl esterN-Cbz-glycine Ethyl EsterEthyl 2-(((benzyloxy)carbonyl)amino)acetateZ-Gly-OEtGlycine, N-[(phenylmethoxy)carbonyl]-, ethyl esterethyl 2-(phenylmethoxycarbonylamino)acetateMFCD01724894

Show more names

CBZ-Glycine ethyl esterNSC 617251Z-Gly-Gly-OEtZ-GLY-GLY-OET USP/EP/BPN-Cbz-glycine Ethyl Este

Ethyl N-(benzyloxycarbonyl)glycinateEthyl ((benzyloxy)carbonyl)glycinateN-benzyloxycarbonylglycine ethyl esterETHYL 2-(BENZYLOXYCARBONYLAMINO)ACETATEN-Carbobenzoxyglycine ethyl esterCbz-Gly-OEtBRN 2219244Ethyl Z-glycinate

Database identifiers

CAS: 1145-81-9
PubChem CID: 14366
DTXSID: DTXSID00150751
ChEMBL: CHEMBL1990471
EC Number: 807-876-0
Nikkaji: J75.688A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 81 · 81-82℃
Boiling point: 376.3 · 376.3±35.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.97 · 10.97±0.46(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C12H15NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKey: HAIHOTOFCDNWDA-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CNC(OCC1=CC=CC=C1)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
REACH Registrations: Active