L-α-Aminoadipic acid

C₆H₁₁NO₄CAS 1118-90-7161.16 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₁NO₄
Molar mass: 161.16 g/mol
Exact mass: 161.0688 Da
Melting point: 193–194 °C
logP: -0.35Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5
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

1118-90-7

SMILES

N[C@@H](CCCC(=O)O)C(=O)O

InChIKey

OYIFNHCXNCRBQI-BYPYZUCNSA-N

InChI

InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Hexanedioic acid, 2-amino-, (2S)-
Hexanedioic acid, 2-amino-, L-
Hexanedioic acid, 2-amino-, (S)-
(2S)-2-Aminohexanedioic acid
L-2-Aminoadipic acid
L-α-Aminoadipate
(S)-2-Aminoadipic acid
L-Aminoadipic acid
(S)-2-Aminohexanedioic acid
(2S)-2-Azaniumyl-6-hydroxy-6-oxohexanoate

Work with L-α-Aminoadipic acid

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.

D-α-Aminoadipic acid7620-28-2Enantiomer Alpha-aminoadipic acid542-32-5Stereo not defined

Similar compounds

2-Aminopimelic acid627-76-989 % similar Dl-alpha-aminosuberic acid19641-59-986 % similar Poly(L-glutamic acid)25513-46-679 % similar Glutamic acid56-86-079 % similar Glutamic acid617-65-279 % similar (-)-Glutamic acid6893-26-179 % similar Glutamic acid hydrochloride138-15-871 % similar Dl-glutamic acid monohydrate19285-83-771 % similar

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

Same formula

5-Methyl hydrogen L-glutamate1499-55-4 Ethyl 2-nitrobutyrate2531-81-9 N-Methyl-L-glutamic acid35989-16-3 H-Glu-ome6384-08-3

Elsewhere

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