(2S)-2,3-diphenylpropanoic acid

C15H14O2 — CID 737125

IUPAC(2S)-2,3-diphenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)/t14-/m0/s1
InChIKeyPCRICPYPVZKEBZ-AWEZNQCLSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds4

About (2S)-2,3-diphenylpropanoic acid

(2S)-2,3-diphenylpropanoic acid (PubChem CID 737125) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2,3-diphenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2,3-diphenylpropanoic acid
PubChem CID737125
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2S)-2,3-diphenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)/t14-/m0/s1
InChIKeyPCRICPYPVZKEBZ-AWEZNQCLSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2S)-2,3-diphenylpropanoate
CID 6993748
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
CID 163124301
4-[(2S)-2-carboxy-2-phenylethyl]-N-hydroxybenzeneamine oxide
CID 163124302
1-ethylalumanyl-2,3-diphenylpropan-1-one
CID 173146951
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diphenylpropanoic acid?
The IUPAC name of (2S)-2,3-diphenylpropanoic acid (CID 737125) is (2S)-2,3-diphenylpropanoic acid.
What is the SMILES notation for (2S)-2,3-diphenylpropanoic acid?
The canonical SMILES for (2S)-2,3-diphenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2,3-diphenylpropanoic acid?
The InChIKey is PCRICPYPVZKEBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2,3-diphenylpropanoic acid?
(2S)-2,3-diphenylpropanoic acid has a molecular weight of 226.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diphenylpropanoic acid is sourced from PubChem (CID 737125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).