Basic information
- CAS
101642-77-7- Standard SMILES
CC(CNC(=O)OCc1ccccc1)C(=O)O- InChIKey
YDSJUQJHDFBDSZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 3-(((Benzyloxy)carbonyl)amino)-2-methylpropanoic acid
- IUPAC
- 2-methyl-3-(phenylmethoxycarbonylamino)propanoic acid
- English name
- Cbz-DL-3-Aminoisobutyric acid
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
101642-77-73-(((Benzyloxy)carbonyl)amino)-2-methylpropanoic acid3-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPANOIC ACID2-methyl-3-(phenylmethoxycarbonylamino)propanoic acidCbz-DL-3-Aminoisobutyric acidPropanoic acid, 2-methyl-3-[[(phenylmethoxy)carbonyl]amino]-YDSJUQJHDFBDSZ-UHFFFAOYSA-NCbz-(R)-3-Amino-2-methylpropanoic acidCbz-(S)-3-Amino-2-Methylpropanoic AcidNSC1959123-(((Benzyloxy)carbonyl)amino)-2-methylpropanoicacidSCHEMBL3840710
Show more names
REF DUPL: Cbz-DL-3-Aminoisobutyric acid3-(benzyloxycarbonylamino)-2-methylpropanoic acidN-((Benzyloxy)carbonyl)-DL-3-aminoisobutyric acid
DTXSID90307858AKOS011970997NSC-195912N-carbobenzyloxy-beta-amino-isobutyric acidCS-0344159EN300-1211783-(benzyloxycarbonylamino)-2-methyl-propanoic acid3-benzyloxycarbonylamino-2(r,s)-methylpropionic acid
Database identifiers
- CAS
101642-77-7- PubChem CID
- 304274
- DTXSID
DTXSID90307858
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 86 · 86-87 °C
- Boiling point
- 435.6 · 435.6±38.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.52 · 4.52±0.10(Predicted)
Chemistry & industry
Suppliers9 total
北京华美互利生物化工010-56205725 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
佰美济华(河南)医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
11 records
Compound notes
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