히드록실아민,O-(카르복시메틸)-

(Aminooxy)acetic acid

HCID 286

기본 정보

CAS: 645-88-5
표준 SMILES: NOCC(=O)O
InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N
분자식: C2H5NO3
평균 분자량: 91.07 g/mol
단동위원소 질량: 91.02694302

개요

(aminooxy)acetic acid is a member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. It has a role as an anticonvulsant, an EC 4.2.1.22 (cystathionine beta-synthase) inhibitor, an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor and a nootropic agent. It is a member of hydroxylamines, a monocarboxylic acid and an amino acid. It is a conjugate acid of an (aminooxy)acetate.

이름 및 식별자

우선 이름: (Aminooxy)acetic acid
IUPAC: 2-aminooxyacetic acid
현지명: 히드록실아민,O-(카르복시메틸)-
영어명: Hydroxylamine, O-(carboxymethyl)-
분자식: C2H5NO3
분자량: 91.07

이름 및 동의어

Aminooxyacetic acid645-88-52-(Aminooxy)acetic acid(aminooxy)acetic acidaminoxyacetic acidAOAA2-aminooxyacetic acidCarboxymethoxyamine(Carboxymethoxy)amineACETIC ACID, (AMINOOXY)-(o-Carboxymethyl)hydroxylamineu-7524

이름 더 보기

히드록실아민,O-(카르복시메틸)-O-(Carboxymethyl)hydroxylamine(aminooxy)acetateAcetic acid,2-(aminooxy)-2-(Aminooxy)-acetic acid HCl

14I68GI3OQCHEBI:40823DTXSID50214756Acid, AminooxyaceticRefChem:112056DTXCID80137247Aminooxy-acetic acidcarboxymethoxylamine

데이터베이스 식별자

CAS: 645-88-5
PubChem CID: 286
DTXSID: DTXSID50214756
ChEMBL: CHEMBL347862
ChEBI: CHEBI:40823
UNII: 14I68GI3OQ
Nikkaji: J36.275A

물성

구조 계산 물성

XLogP: -3.4
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 52.8

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 138 ℃ · 138℃
끓는 점: 327 ℃ · 327℃
밀도: 1.375 · 1.375
굴절률: 1.4264 · 1.4264 (estimate)
인화점: 151 ℃ · 151℃
산도 계수 (pKa): 1.92 · 1.92±0.10(Predicted)

안전 및 규제

안전 데이터

독성: LD50 intraperitoneal in mouse: 40mg/kg

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.