CC(C)C(CCC1=CC=CC=C1)(CC(=O)O)O
Nom: (3S)-3-hydroxy-4-methyl-3-(2-phenylethyl)pentanoic acid
SMILES: CC(C)C(CCC1=CC=CC=C1)(CC(=O)O)O

Molecular Processing

Molecular formula
C14H20O3
Molecular weight
236.31
Exact mass
236.1412
XLogP
2.48
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.8

Supplementary Information

InChIKey: XMBJAEAAURCDAL-AWEZNQCLSA-N
Synonymes
SCHEMBL6695081XMBJAEAAURCDAL-AWEZNQCLSA-N(S)-3-Hydroxy-4-methyl-3-(2-phenyl-ethyl)-pentanoic Acid
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→