H-Glu-ome

C₆H₁₁NO₄CAS 6384-08-3161.16 g/mol

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Carboxylic acid Ester Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Alpha-aminoadipic acid542-32-5 D-α-Aminoadipic acid7620-28-2

Elsewhere

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