Pipecolic acid, (-)-

HCID 439227CAS 3105-95-1

기본 정보

표준 SMILES: O=C(O)[C@@H]1CCCCN1
InChIKey: HXEACLLIILLPRG-YFKPBYRVSA-N
분자식: C6H11NO2
평균 분자량: 129.16 g/mol
단동위원소 질량: 129.07897859

개요

L-pipecolic acid is the L-enantiomer of pipecolic acid. It is a metabolite of lysine. It has a role as a plant metabolite and a human metabolite. It is a conjugate acid of a L-pipecolate. It is an enantiomer of a D-pipecolic acid. It is a tautomer of a L-pipecolic acid zwitterion.

이름 및 식별자

우선 이름: Pipecolic acid, (-)-
IUPAC: (2S)-piperidine-2-carboxylic acid

이름 및 동의어

l-Pipecolic acid(S)-Piperidine-2-carboxylic acidL-Homoproline(2S)-piperidine-2-carboxylic acidL-Pipecolinic acid2-Piperidinecarboxylic acid, (2S)-Pipecolic acid, (-)-(S)-pipecolic acid(-)-Pipecolic acidL-(-)-pipecolic acid(S)-(-)-pipecolic acid(S)-Pipecolinic acid

이름 더 보기

Pipecolic acid, L-(-)-EINECS 221-462-1NSC 93089Pipecolic acid, L-(-)-PIPECOLINIC ACIDCHEBI:30913DTXSID401035840PIPECOLIC ACID L-FORM [MI]

데이터베이스 식별자

CAS: 3105-95-1
PubChem CID: 439227
DTXSID: DTXSID401035840
ChEMBL: CHEMBL322883
ChEBI: CHEBI:30913
UNII: 69374CKB33
EC Number: 221-462-1
Nikkaji: J215.717I

물성

구조 계산 물성

XLogP: -2.3
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

Melting Point272 °C

Physical DescriptionSolid

Collision Cross Section · 3건

126.71 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

133.82 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

128.9 Å² [M-H]-

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.