Basic information
- CAS
886-64-6- Standard SMILES
NC(=O)CCNC(=O)OCc1ccccc1- InChIKey
JSVDOBZAAAJMBU-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- benzyl N-(2-carbamoylethyl)carbamate
- IUPAC
- benzyl N-(3-amino-3-oxopropyl)carbamate
- English name
- Z-beta-Ala-NH2
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
886-64-6benzyl N-(2-carbamoylethyl)carbamateZ-beta-alanine amideZ-BETA-ALA-NH2Benzyl 3-amino-3-oxopropylcarbamatebenzyl N-(3-amino-3-oxopropyl)carbamateMFCD00270463NSC 290815Z-|A-Ala-NH2Z-b-alanine amideNSC290815Benzyl (3-amino-3-oxopropyl)carbamate
Show more names
Z-2-Ala-NH2Z-b-Ala-NH2Z-β-Ala-NH2Z-β-Ala-NH?CBZ-β-Ala-NH2Z-GLY(C*CH2)-NH2Z-β-alanine amideCbz-b-alanine amide
Z--Ala-NH2SCHEMBL4449918SCHEMBL10885850Benzyloxycarbonyl-beta-alaninamideDTXSID00314997JSVDOBZAAAJMBU-UHFFFAOYSA-N3-Amino-1-(Cbz-amino)-3-oxopropaneAKOS008135289
Database identifiers
- CAS
886-64-6- PubChem CID
- 324693
- DTXSID
DTXSID00314997
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- InChI
- InChI=1S/C11H14N2O3/c12-10(14)6-7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
- InChIKey
- JSVDOBZAAAJMBU-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)NCCC(N)=O
Chemistry & industry
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
天津安浩生物科技有限公司[email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
上海吉奉生物科技有限公司
Related reactions
2 records
Compound notes
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