3-(((Benzyloxy)carbonyl)amino)-2-methylpropanoic acid

HCID 304274

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

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]

Related reactions

11 records

Compound notes

Loading…