Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid
Properties
- Molecular formula
- C15H20FNO4
- Molar mass
- 297.33 g/mol
- Exact mass
- 297.1376 Da
- logP
- 2.74Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
218608-97-0SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)F)CC(=O)OInChIKey
KEGMJLZICKHWIR-LBPRGKRZSA-NInChI
InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Boc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-85-878 % similar
Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid269396-71-676 % similar
Boc-(S)-3-amino-4-(4-bromo-phenyl)-butyric acid270062-85-676 % similar
Boc-(R)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid269396-59-075 % similar
Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-974 % similar
Boc-(R)-3-amino-4-(3-thienyl)-butyric acid269726-92-369 % similar
(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-269 % similar
Boc-(R)-3-amino-4-(4-nitro-phenyl)-butyric acid219297-12-869 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds