H-D-Glu-obzl

C12H15NO4CAS 79338-14-0237.25 g/mol

Open in Covalent MOL file
OOOHONH2
Carboxylic acidEsterPrimary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
79338-14-0
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CCC(=O)O)N
InChIKey
HFZKKJHBHCZXTQ-SNVBAGLBSA-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-/m1/s1

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Work with H-D-Glu-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Glutamic acid alpha-benzyl ester13030-09-6Enantiomer

Similar compounds

H-Asp-OBzl7362-93-876 % similar Dibenzyl L-glutamate hydrochloride4561-10-867 % similar Cbz-L-glutamic acid 1-benzyl ester3705-42-863 % similar Z-D-Glu-OBzl65706-99-263 % similar D-Serine benzyl ester hydrochloride151651-44-460 % similar L-Serine benzyl ester hydrochloride60022-62-060 % similar Phenylalanine benzyl ester hydrochloride2462-32-059 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-757 % 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 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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