Boc-(R)-3-amino-4-(2-chloro-phenyl)-butyric acid
Properties
- Molecular formula
- C15H20ClNO4
- Molar mass
- 313.78 g/mol
- Exact mass
- 313.1081 Da
- logP
- 3.25Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
218608-93-6SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1Cl)CC(=O)OInChIKey
UBRPCCFLMVZEKN-LLVKDONJSA-NInChI
InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Boc-(R)-3-amino-4-(2-chloro-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
(R)-3-((tert-Butoxycarbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid269396-53-479 % similar
Boc-(S)-3-amino-4-(2,4-dichloro-phenyl)-butyric acid270063-48-479 % similar
Boc-(S)-3-amino-4-(1-naphthyl)-butyric acid219297-09-377 % similar
Boc-(S)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid270065-74-271 % similar
Fmoc-(R)-3-amino-4-(2-chloro-phenyl)-butyric acid268734-29-868 % similar
Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-667 % similar
Boc-2-chloro-L-phenylalanine114873-02-867 % similar
Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid219297-10-666 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds