(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid

C15H15NO2 — CID 3246160

IUPAC(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)[C@H](CCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h1-8,11,14H,9-10H2,(H,17,18)/t14-/m1/s1
InChIKeySSRVHSJNWMCPCE-CQSZACIVSA-N
MW241.29 g/mol
LogP2.88
Rot. Bonds5

About (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid

(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid (PubChem CID 3246160) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid
PubChem CID3246160
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)[C@H](CCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h1-8,11,14H,9-10H2,(H,17,18)/t14-/m1/s1
InChIKeySSRVHSJNWMCPCE-CQSZACIVSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid?
The IUPAC name of (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid (CID 3246160) is (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid is O=C(O)[C@H](CCc1ccccn1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid?
The InChIKey is SSRVHSJNWMCPCE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h1-8,11,14H,9-10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid?
(2R)-2-phenyl-4-pyridin-2-ylbutanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 3246160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).