2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid

C11H15NO2 — CID 81008054

IUPAC2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
SMILESCc1ccncc1C(C)C(C)C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-4-5-12-6-10(7)8(2)9(3)11(13)14/h4-6,8-9H,1-3H3,(H,13,14)
InChIKeyQVUDSRZSHVTUCI-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid

2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid (PubChem CID 81008054) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
PubChem CID81008054
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
SMILESCc1ccncc1C(C)C(C)C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-4-5-12-6-10(7)8(2)9(3)11(13)14/h4-6,8-9H,1-3H3,(H,13,14)
InChIKeyQVUDSRZSHVTUCI-UHFFFAOYSA-N
XLogP2.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
CID 79366521
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid
CID 110836421
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
2-(4-methyl-3-pyridinyl)butanamide
CID 67406036
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
CID 114878657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid (CID 81008054) is 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid is Cc1ccncc1C(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid?
The InChIKey is QVUDSRZSHVTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-12-6-10(7)8(2)9(3)11(13)14/h4-6,8-9H,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid?
2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid is sourced from PubChem (CID 81008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).