2-methyl-4-pyridin-3-ylbutanoic acid

C10H13NO2 — CID 79004008

IUPAC2-methyl-4-pyridin-3-ylbutanoic acid
SMILESCC(CCc1cccnc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(10(12)13)4-5-9-3-2-6-11-7-9/h2-3,6-8H,4-5H2,1H3,(H,12,13)
InChIKeyBXIURIIDZFCFJD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-4-pyridin-3-ylbutanoic acid

2-methyl-4-pyridin-3-ylbutanoic acid (PubChem CID 79004008) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-ylbutanoic acid
PubChem CID79004008
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-4-pyridin-3-ylbutanoic acid
SMILESCC(CCc1cccnc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(10(12)13)4-5-9-3-2-6-11-7-9/h2-3,6-8H,4-5H2,1H3,(H,12,13)
InChIKeyBXIURIIDZFCFJD-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
2-methyl-4-phenylbutanoic acid
CID 66896591
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
2,4-dimethyl-5-oxo-5-(pyridin-3-ylmethoxy)pentanoic acid
CID 70449179
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
CID 59170271
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
2-(pyridin-3-ylmethylsulfanyl)propanoic acid
CID 24692190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 2-methyl-4-pyridin-3-ylbutanoic acid (CID 79004008) is 2-methyl-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-pyridin-3-ylbutanoic acid is CC(CCc1cccnc1)C(=O)O.
What is the InChIKey of 2-methyl-4-pyridin-3-ylbutanoic acid?
The InChIKey is BXIURIIDZFCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(10(12)13)4-5-9-3-2-6-11-7-9/h2-3,6-8H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-pyridin-3-ylbutanoic acid?
2-methyl-4-pyridin-3-ylbutanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 79004008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).