(3S)-4-methyl-3-pyridin-3-ylpentanoic acid

C11H15NO2 — CID 95426489

IUPAC(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
SMILESCC(C)[C@H](CC(=O)O)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-8(2)10(6-11(13)14)9-4-3-5-12-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyHGFBCPZFMQJYQW-JTQLQIEISA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds4

About (3S)-4-methyl-3-pyridin-3-ylpentanoic acid

(3S)-4-methyl-3-pyridin-3-ylpentanoic acid (PubChem CID 95426489) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-4-methyl-3-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
PubChem CID95426489
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
SMILESCC(C)[C@H](CC(=O)O)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-8(2)10(6-11(13)14)9-4-3-5-12-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyHGFBCPZFMQJYQW-JTQLQIEISA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-phenylpentanoic acid
CID 3249521
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
CID 116833952
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-pyridin-3-ylpentanoic acid?
The IUPAC name of (3S)-4-methyl-3-pyridin-3-ylpentanoic acid (CID 95426489) is (3S)-4-methyl-3-pyridin-3-ylpentanoic acid.
What is the SMILES notation for (3S)-4-methyl-3-pyridin-3-ylpentanoic acid?
The canonical SMILES for (3S)-4-methyl-3-pyridin-3-ylpentanoic acid is CC(C)[C@H](CC(=O)O)c1cccnc1.
What is the InChIKey of (3S)-4-methyl-3-pyridin-3-ylpentanoic acid?
The InChIKey is HGFBCPZFMQJYQW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)10(6-11(13)14)9-4-3-5-12-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-4-methyl-3-pyridin-3-ylpentanoic acid?
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 95426489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).