(2S)-2-amino-3-cyclopropylpropanoic acid

HCID 6951383

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102735-53-5
표준 SMILES: N[C@@H](CC1CC1)C(=O)O
InChIKey: XGUXJMWPVJQIHI-YFKPBYRVSA-N
분자식: C6H11NO2
평균 분자량: 129.16 g/mol
단동위원소 질량: 129.07897859

개요

CYCLOPROPYLALANINE is a L-alpha-amino acid.

이름 및 식별자

우선 이름: (2S)-2-amino-3-cyclopropylpropanoic acid
IUPAC: (2S)-2-amino-3-cyclopropylpropanoic acid
영어명: L-Cyclopropylalanine
분자식: C6H11NO2
분자량: 129.16

이름 및 동의어

(2S)-2-amino-3-cyclopropylpropanoic acidRefChem:398302676-188-9102735-53-5L-Cyclopropylalanine(s)-2-amino-3-cyclopropylpropanoic acidL-3-cyclopropylalanine3-cyclopropyl-L-alanineD-3-(Cyclopropyl)alanineMFCD00798687h-beta-cyclopropyl-ala-ohh-ala(cyclopropyl)-oh

이름 더 보기

H-b-Cyclopropyl-L-Ala-OHH-ALA(CPRO)-OHH-L-Ala(cPr)-OHL-CyclopropylanineL-ALA(3-CYCLOPROPYL)H--Cyclopropyl-Ala-OHβ-Cyclopropyl-Alanine

l-beta-cyclopropylalanine(S)-3-Cyclopropylalanine(s)-beta-cyclopropylalanine(s)-2-amino-3-cyclopropylpropionic acidCyclopropanepropanoic acid, alpha-amino-, (alphaS)-AC-67242-(s)-amino-3-cyclopropyl propanoic acid2-(s)amino-3-(cyclopropyl)propanoic acid

데이터베이스 식별자

CAS: 102735-53-5
PubChem CID: 6951383
DTXSID: DTXSID00426241
ChEMBL: CHEMBL4063034
ChEBI: CHEBI:198906
EC Number: 676-188-9
Nikkaji: J1.787.824G

물성

구조 계산 물성

XLogP: -1.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 120

물리화학적 성질

끓는 점: 258 · 258.0±23.0 °C(Predicted)
밀도: 1.218 · 1.218±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: Solid
산도 계수 (pKa): 2.32 · 2.32±0.10(Predicted)
색상: White to off-white
InChI: InChI=1/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)/t5-/s3
InChIKey: XGUXJMWPVJQIHI-GQMHJJTINA-N
SMILES: [C@H](N)(CC1CC1)C(=O)O |&1:0,r|

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2922498590
risk_code: 22
hazard_code: Xn

화학 및 산업

응용 분야

용도3-Cyclopropyl-L-alanine is used to prepare optically active pyrrolidineacetic acids as CCR5 receptor antagonists with antiviral activity against HIV.