L-Glutamic acid alpha-benzyl ester

C₁₂H₁₅NO₄CAS 13030-09-6237.25 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Primary amine

Properties

Molecular formula: C₁₂H₁₅NO₄
Molar mass: 237.25 g/mol
Exact mass: 237.1001 Da
logP: 0.92Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

13030-09-6

SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)N

InChIKey

HFZKKJHBHCZXTQ-JTQLQIEISA-N

InChI

InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1

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Names and synonyms

1 names

(4S)-4-Amino-5-benzyloxy-5-oxo-pentanoic acid

Work with L-Glutamic acid alpha-benzyl 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

Dibenzyl L-glutamate hydrochloride4561-10-867 % similar Phenylalanine benzyl ester hydrochloride2462-32-059 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-757 % similar 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-755 % similar L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-653 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-053 % similar Fmoc-glu-obzl122350-52-153 % similar Alanine benzyl ester hydrochloride5557-83-552 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8 (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-5 4-(Benzyloxycarbonylamino)butyric acid5105-78-2 Ethopabate59-06-3

Elsewhere

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