chempirical

H-Asp-OBzl

C11H13NO4CAS 7362-93-8223.23 g/mol

Open in Covalent MOL file
OOOOHNH2
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
logP
0.53Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7362-93-8
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)O)N
InChIKey
NJSRYBIBUXBNSW-VIFPVBQESA-N
InChI
InChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1

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Names and synonyms

1 names
  • L-Aspartic acid benzyl ester

Work with H-Asp-OBzl

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

L-Glutamic acid alpha-benzyl ester13030-09-676 % similar H-D-Glu-obzl79338-14-076 % similar D-Serine benzyl ester hydrochloride151651-44-463 % similar L-Serine benzyl ester hydrochloride60022-62-063 % similar Phenylalanine benzyl ester hydrochloride2462-32-062 % similar Z-Asp-obzl4779-31-161 % similar Dibenzyl L-glutamate hydrochloride4561-10-855 % similar L-Tartaric acid dibenzyl ester622-00-455 % similar

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

Same formula

N-Carbobenzyloxyalanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 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

Elsewhere

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