chempirical

N-Benzyloxycarbonylglycine methyl ester

C11H13NO4CAS 1212-53-9223.23 g/mol

Open in Covalent MOL file
OONHOO
Ester

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
111–112 °C
logP
1.29Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
1212-53-9
SMILES
COC(=O)CN=C(O)OCc1ccccc1
InChIKey
DZYBBBYFLOPVOL-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Glycine, N-[(phenylmethoxy)carbonyl]-, methyl ester
  • Glycine, N-carboxy-, N-benzyl methyl ester
  • Methyl N-benzyloxycarbonylglycinate
  • (Benzyloxycarbonyl)glycine methyl ester
  • N-(Phenylmethoxycarbonyl)glycine methyl ester
  • NSC 88470
  • Methyl 2-[[(benzyloxy)carbonyl]amino]acetate
  • N-(Carbobenzyloxy)glycine methyl ester
  • Carbobenzyloxyglycine methyl ester

Work with N-Benzyloxycarbonylglycine methyl 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

Benzyloxycarbonylglycine1138-80-366 % similar Carbobenzoxyglycine N-hydroxysuccinimide ester2899-60-765 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-658 % similar N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester1738-86-957 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-954 % similar 4-(Benzyloxycarbonylamino)butyric acid5105-78-253 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-452 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-652 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1 N-Acetyl-dl-tyrosine2901-77-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook