H-D-Glu-obzl

C12H15NO4CAS 79338-14-0237.25 g/mol

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. Search the SDS library

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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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.

Similar compounds

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

Same formula

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