(2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride
Properties
- Molecular formula
- C20H26ClNO2
- Molar mass
- 347.88 g/mol
- Exact mass
- 347.1652 Da
- logP
- 4.23Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 7
- Stereocentres
- R, Sin SMILES atom order
Identifiers
CAS number
149690-12-0SMILES
CCOC(=O)[C@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1.ClInChIKey
MYJTZLYRAWUSLB-WSCVZUBPSA-NInChI
InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- [1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride (1:1), (αR,γS)-
- [1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride, [S-(R*,S*)]-
- Ethyl (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride
- (2R,4S)-Ethyl-5-([1,1′-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride