(2R,3R)-2,3-diphenylbutanedioic acid

C16H14O4 — CID 744447

IUPAC(2R,3R)-2,3-diphenylbutanedioic acid
SMILESO=C(O)[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14-/m0/s1
InChIKeyPVXCQHHWNDJIJP-KBPBESRZSA-N
MW270.28 g/mol
LogP2.72
Rot. Bonds5

About (2R,3R)-2,3-diphenylbutanedioic acid

(2R,3R)-2,3-diphenylbutanedioic acid (PubChem CID 744447) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R,3R)-2,3-diphenylbutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-diphenylbutanedioic acid
PubChem CID744447
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2R,3R)-2,3-diphenylbutanedioic acid
SMILESO=C(O)[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14-/m0/s1
InChIKeyPVXCQHHWNDJIJP-KBPBESRZSA-N
XLogP2.72
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-2,3-diphenylbutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diphenylbutanedioic acid?
The IUPAC name of (2R,3R)-2,3-diphenylbutanedioic acid (CID 744447) is (2R,3R)-2,3-diphenylbutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-diphenylbutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-diphenylbutanedioic acid is O=C(O)[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-diphenylbutanedioic acid?
The InChIKey is PVXCQHHWNDJIJP-KBPBESRZSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14-/m0/s1.
What are the key properties of (2R,3R)-2,3-diphenylbutanedioic acid?
(2R,3R)-2,3-diphenylbutanedioic acid has a molecular weight of 270.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diphenylbutanedioic acid is sourced from PubChem (CID 744447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).