3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
Properties
- Molecular formula
- C14H18FNO4
- Molar mass
- 283.30 g/mol
- Exact mass
- 283.1220 Da
- logP
- 2.87Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
Identifiers
CAS number
284493-72-7SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)FInChIKey
WRVBNEFIXONNFA-UHFFFAOYSA-NInChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic 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
(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-576 % similar
(R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-276 % similar
Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid218608-97-069 % similar
Boc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid218609-00-869 % similar
3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid284493-53-462 % similar
(3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-054 % similar
Boc-(R)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid269396-59-053 % similar
Boc-L-phenylglycinol117049-14-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-L-phenylalanine114873-00-6
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-7
N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-D-phenylalanine114873-10-8
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-9
β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid284493-59-0
(2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-2