chempirical

N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester

C16H14N2O6CAS 1738-86-9330.30 g/mol

Open in Covalent MOL file
ONHOOON+OO−
EsterNitro

Properties

Molecular formula
C16H14N2O6
Molar mass
330.30 g/mol
Exact mass
330.0852 Da
Melting point
120–122 °C
logP
2.63Crippen estimate
Polar surface area
111.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
1738-86-9
SMILES
O=C(CN=C(O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1
InChIKey
LHFNPUGRSYOPLF-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O6/c19-15(24-14-8-6-13(7-9-14)18(21)22)10-17-16(20)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,20)

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Names and synonyms

17 names · show all
  • Glycine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
  • Glycine, N-carboxy-, N-benzyl p-nitrophenyl ester
  • Carbobenzoxyglycine p-nitrophenyl ester
  • N-Carbobenzoxyglycine p-nitrophenyl ester
  • p-Nitrophenyl benzyloxycarbonylglycinate
  • p-Nitrophenyl N-benzyloxycarbonylglycinate
  • Benzyloxycarbonylglycine p-nitrophenyl ester
  • N-(Benzyloxycarbonyl)glycine p-nitrophenyl ester
  • p-Nitrophenyl N-(benzyloxycarbonyl)aminoacetate
  • N-Carboxyglycine N-benzyl p-nitrophenyl ester
  • N-α-Carbobenzoxyglycine p-nitrophenyl ester
  • p-Nitrophenyl carbobenzoxyglycinate
  • p-Nitrophenyl Z-glycinate
  • p-Nitrophenyl (N-carbobenzoxy)glycinate
  • N-(Benzyloxycarbonyl)glycine 4-nitrophenyl ester
  • NSC 405051
  • (4-Nitrophenyl) 2-(phenylmethoxycarbonylamino)acetate

Work with N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-963 % similar Benzyl 4-nitrophenyl carbonate13795-24-962 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 4-nitrophenyl ester1738-87-059 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-758 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-957 % similar Carbobenzoxyglycine N-hydroxysuccinimide ester2899-60-753 % similar Benzyloxycarbonylglycine1138-80-352 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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