(2S)-2-Bromo-3-methylbutanoic acid
Properties
- Molecular formula
- C5H9BrO2
- Molar mass
- 181.03 g/mol
- Exact mass
- 179.9786 Da
- logP
- 1.49Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
26782-75-2SMILES
CC(C)[C@H](Br)C(=O)OInChIKey
UEBARDWJXBGYEJ-BYPYZUCNSA-NInChI
InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Butanoic acid, 2-bromo-3-methyl-, (2S)-
- Butanoic acid, 2-bromo-3-methyl-, (S)-
- Butyric acid, 2-bromo-3-methyl-, (S)-
- (S)-2-Bromo-3-methylbutyric acid
- (S)-2-Bromoisovaleric acid
- (-)-2-Bromo-3-methylbutyric acid
- (S)-2-Bromo-3-methylbutanoic acid
Work with (2S)-2-Bromo-3-methylbutanoic acid
Similar compounds
Rel-(2R,3S)-2,3-dibromobutanedioic acid608-36-667 % similar
2,3-Dibromobutanoic acid600-30-664 % similar
2-(1-Methylethyl)propanedioic acid601-79-654 % similar
(R)-(+)-2-Bromopropionic acid10009-70-852 % similar
(2S)-2-Bromopropanoic acid32644-15-852 % similar
2-Bromopropionic acid598-72-152 % similar
(S)-2-Hydroxy-3-methylbutanoic acid17407-55-550 % similar
(±)-2-Hydroxyisovaleric acid4026-18-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds