(2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

HCID 688413CAS 57653-35-7

기본 정보

표준 SMILES: COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1
InChIKey: VVKAGQHUUDRPOI-RYUDHWBXSA-N
분자식: C14H17NO5
평균 분자량: 279.29 g/mol

이름 및 식별자

우선 이름: (2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-benzyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
영어명: CIS-ZHPROME
분자식: C14H17NO5
분자량: 279.29

이름 및 동의어

57653-35-7N-Cbz-cis-4-Hydroxy-L-proline methyl ester(2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateCIS-ZHPROMEMFCD09954934O1-benzyl O2-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate1-O-benzyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate1-BENZYL 2-METHYL (2S,4S)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE(2S,4S)-1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-hydroxypyrrolidine1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-VVKAGQHUUDRPOI-RYUDHWBXSA-NSCHEMBL1448027

이름 더 보기

CIS-ZHPROME USP/EP/BPCbz-cis-4-Hydroxy-L-Proline methyl ester(4S)-1-Cbz-4-hydroxy-L-proline methyl ester(2S,4S)-N-Cbz-cis-4-hydroxy-L-proline methyl esterN-CARBOBENZYLOXY-(4S)-HYDROXY-L-PROLINE METHYL ESTERMethyl (2S,4S)-1-Cbz-4-Hydroxypyrrolidine-2-carboxylateO1-benzyl O2-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dic

AKOS025146558DS-8948SY097002DB-199400CS-0048816EN300-7070691AU-004/43510498F465091

데이터베이스 식별자

CAS: 57653-35-7
PubChem CID: 688413
EC Number: 693-601-8

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 353

물리화학적 성질

녹는점: 80 · 80-85°C
끓는 점: 422.8 · 422.8±45.0 °C(Predicted)
밀도: 1.313 · 1.313±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 14.25 · 14.25±0.40(Predicted)
InChI: 1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12-/m0/s1
InChIKey: VVKAGQHUUDRPOI-RYUDHWBXSA-N
SMILES: COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc2ccccc2