(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid

C17H19NO2 — CID 125491492

IUPAC(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
SMILESCC(C)[C@H](c1ccccc1)[C@H](C(=O)O)c1cccnc1
InChIInChI=1S/C17H19NO2/c1-12(2)15(13-7-4-3-5-8-13)16(17(19)20)14-9-6-10-18-11-14/h3-12,15-16H,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyGBDBGSQXTAHYSW-HZPDHXFCSA-N
MW269.34 g/mol
LogP3.69
Rot. Bonds5

About (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid

(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid (PubChem CID 125491492) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
PubChem CID125491492
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
SMILESCC(C)[C@H](c1ccccc1)[C@H](C(=O)O)c1cccnc1
InChIInChI=1S/C17H19NO2/c1-12(2)15(13-7-4-3-5-8-13)16(17(19)20)14-9-6-10-18-11-14/h3-12,15-16H,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyGBDBGSQXTAHYSW-HZPDHXFCSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,3-diphenylpentanoic acid
CID 13280236
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-[hydroxy(1-pyridin-3-ylethyl)phosphoryl]-2,3-diphenylpropanoic acid
CID 19357680
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
3-[ethyl(hydroxy)phosphoryl]-2-phenyl-3-pyridin-3-ylpropanoic acid
CID 57212718
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
3-[hydroxy(pyridin-3-yl)phosphoryl]-4,4-dimethyl-2-phenylpentanoic acid
CID 19357792

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid?
The IUPAC name of (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid (CID 125491492) is (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid.
What is the SMILES notation for (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid?
The canonical SMILES for (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid is CC(C)[C@H](c1ccccc1)[C@H](C(=O)O)c1cccnc1.
What is the InChIKey of (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid?
The InChIKey is GBDBGSQXTAHYSW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)15(13-7-4-3-5-8-13)16(17(19)20)14-9-6-10-18-11-14/h3-12,15-16H,1-2H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid?
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 125491492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).