3-Amino-N-[(phenylmethoxy)carbonyl]-D-alanine

C₁₁H₁₄N₂O₄CAS 62234-37-1238.24 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₄N₂O₄
Molar mass: 238.24 g/mol
Exact mass: 238.0954 Da
Melting point: 205–208 °C
logP: 0.53Crippen estimate
Polar surface area: 105.1 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

62234-37-1

SMILES

NC[C@@H](N=C(O)OCc1ccccc1)C(=O)O

InChIKey

FOXRXVSTFGNURG-SECBINFHSA-N

InChI

InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m1/s1

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Names and synonyms

4 names

D-Alanine, 3-amino-N-[(phenylmethoxy)carbonyl]-
(R)-3-Amino-2-benzyloxycarbonylaminopropanoic acid
(2R)-3-Amino-2-(phenylmethoxycarbonylamino)propanoic acid
(R)-3-Amino-2-(((benzyloxy)carbonyl)amino)propanoic acid

Work with 3-Amino-N-[(phenylmethoxy)carbonyl]-D-alanine

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

Benzyloxycarbonyl-L-phenylalanine1161-13-376 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-576 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-676 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-874 % similar N-Benzyloxycarbonyl-dl-serine2768-56-174 % similar N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-373 % similar (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-573 % similar N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine6968-11-273 % similar

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

Same formula

Felbamate25451-15-4 Glycyl-L-tyrosine658-79-7

Elsewhere

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