(2R,3S)-5-oxo-2,3-diphenylpentanoic acid

C17H16O3 — CID 162406136

IUPAC(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
SMILESO=CC[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H16O3/c18-12-11-15(13-7-3-1-4-8-13)16(17(19)20)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2,(H,19,20)/t15-,16+/m1/s1
InChIKeyUEPOAAHEMUMCQO-CVEARBPZSA-N
MW268.31 g/mol
LogP3.23
Rot. Bonds6

About (2R,3S)-5-oxo-2,3-diphenylpentanoic acid

(2R,3S)-5-oxo-2,3-diphenylpentanoic acid (PubChem CID 162406136) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R,3S)-5-oxo-2,3-diphenylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
PubChem CID162406136
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
SMILESO=CC[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H16O3/c18-12-11-15(13-7-3-1-4-8-13)16(17(19)20)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2,(H,19,20)/t15-,16+/m1/s1
InChIKeyUEPOAAHEMUMCQO-CVEARBPZSA-N
XLogP3.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
3,4-diphenylpentanal
CID 102432987
2-bromo-3-phenylbutanedioic acid
CID 18967008
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(3S,4S)-4-nitro-3-phenylpentanal
CID 102374569
(E,3R)-7-oxo-3,7-diphenylhept-5-enal
CID 134950944
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
(3R)-3-phenylbutanal
CID 10877278
(3R)-3-amino-3-phenylpropanal
CID 142843115
2-cyano-3-phenylbutanedioic acid
CID 24998756
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-oxo-2,3-diphenylpentanoic acid?
The IUPAC name of (2R,3S)-5-oxo-2,3-diphenylpentanoic acid (CID 162406136) is (2R,3S)-5-oxo-2,3-diphenylpentanoic acid.
What is the SMILES notation for (2R,3S)-5-oxo-2,3-diphenylpentanoic acid?
The canonical SMILES for (2R,3S)-5-oxo-2,3-diphenylpentanoic acid is O=CC[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R,3S)-5-oxo-2,3-diphenylpentanoic acid?
The InChIKey is UEPOAAHEMUMCQO-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16O3/c18-12-11-15(13-7-3-1-4-8-13)16(17(19)20)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of (2R,3S)-5-oxo-2,3-diphenylpentanoic acid?
(2R,3S)-5-oxo-2,3-diphenylpentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-oxo-2,3-diphenylpentanoic acid is sourced from PubChem (CID 162406136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).