(2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid

C₁₃H₁₅NO₆CAS 3160-47-2281.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₃H₁₅NO₆
Molar mass: 281.26 g/mol
Exact mass: 281.0899 Da
logP: 0.93Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

3160-47-2

SMILES

COC(=O)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

PHMBNDDHIBIDRQ-JTQLQIEISA-N

InChI

InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Z-Asp(ome)-oh

Work with (2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid

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

Z-D-Glu(ome)-oh27025-24-780 % similar Z-Dl-asparagine29880-22-669 % similar N-Carbobenzoxy-dl-norleucine15027-13-167 % similar N-Cbz-D-leucine28862-79-566 % similar Z-Asn(trt)-oh132388-57-964 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-663 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-562 % similar N-Cbz-D-alanine26607-51-261 % similar

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

Same formula

N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook