(2S)-2,3-diphenylpropanoate

C15H13O2- — CID 6993748

IUPAC(2S)-2,3-diphenylpropanoate
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)/p-1/t14-/m0/s1
InChIKeyPCRICPYPVZKEBZ-AWEZNQCLSA-M
MW225.27 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2,3-diphenylpropanoate

(2S)-2,3-diphenylpropanoate (PubChem CID 6993748) has the molecular formula C15H13O2- and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-2,3-diphenylpropanoate.

Molecular Properties

Compound Name(2S)-2,3-diphenylpropanoate
PubChem CID6993748
Molecular FormulaC15H13O2-
Molecular Weight225.27 g/mol
Exact Mass225.09
IUPAC Name(2S)-2,3-diphenylpropanoate
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)/p-1/t14-/m0/s1
InChIKeyPCRICPYPVZKEBZ-AWEZNQCLSA-M
XLogP1.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
disodium;2-benzylpropanedioate
CID 141289309
4-methyl-2-phenylpentanoate
CID 22376993
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
(E)-2-(1,2-diphenylethyl)but-2-enedioic acid
CID 67831454
1-ethylalumanyl-2,3-diphenylpropan-1-one
CID 173146951
potassium 2-amino-3-phenylpropanoate
CID 23692488
copper bis((2S)-2-amino-3-phenylpropanoate)
CID 12989540
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diphenylpropanoate?
The IUPAC name of (2S)-2,3-diphenylpropanoate (CID 6993748) is (2S)-2,3-diphenylpropanoate.
What is the SMILES notation for (2S)-2,3-diphenylpropanoate?
The canonical SMILES for (2S)-2,3-diphenylpropanoate is O=C([O-])[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2,3-diphenylpropanoate?
The InChIKey is PCRICPYPVZKEBZ-AWEZNQCLSA-M. 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)/p-1/t14-/m0/s1.
What are the key properties of (2S)-2,3-diphenylpropanoate?
(2S)-2,3-diphenylpropanoate has a molecular weight of 225.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diphenylpropanoate is sourced from PubChem (CID 6993748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).