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H-Glu-ome

C6H11NO4CAS 6384-08-3161.16 g/mol

Open in Covalent MOL file
OOOOHNH2
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C6H11NO4
Molar mass
161.16 g/mol
Exact mass
161.0688 Da
logP
-0.65Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin 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
6384-08-3
SMILES
COC(=O)[C@H](CCC(=O)O)N
InChIKey
SEWIYICDCVPBEW-BYPYZUCNSA-N
InChI
InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1

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Names and synonyms

1 names
  • (4S)-4-Amino-5-methoxy-5-oxopentanoic acid

Work with H-Glu-ome

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

(3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-770 % similar 1-Methyl hydrogen D-aspartate65414-78-070 % similar (R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid25456-76-265 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-765 % similar L-Glutamine methyl ester hydrochloride32668-14-761 % similar D-Glutamine methyl ester hydrochloride74817-54-261 % similar 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-659 % similar Dimethyl L-glutamate hydrochloride23150-65-459 % similar

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

Same formula

L-α-Aminoadipic acid1118-90-7 5-Methyl hydrogen L-glutamate1499-55-4 Ethyl 2-nitrobutyrate2531-81-9 N-Methyl-L-glutamic acid35989-16-3 α-Aminoadipate pathway542-32-5 D-α-Aminoadipic acid7620-28-2

Elsewhere

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