3-methyl-2-pyridin-3-ylpentanoic acid

C11H15NO2 — CID 80522853

IUPAC3-methyl-2-pyridin-3-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-3-8(2)10(11(13)14)9-5-4-6-12-7-9/h4-8,10H,3H2,1-2H3,(H,13,14)
InChIKeyFTWOQVVINJZUGM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-2-pyridin-3-ylpentanoic acid

3-methyl-2-pyridin-3-ylpentanoic acid (PubChem CID 80522853) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-2-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-2-pyridin-3-ylpentanoic acid
PubChem CID80522853
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-2-pyridin-3-ylpentanoic acid
SMILESCCC(C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-3-8(2)10(11(13)14)9-5-4-6-12-7-9/h4-8,10H,3H2,1-2H3,(H,13,14)
InChIKeyFTWOQVVINJZUGM-UHFFFAOYSA-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

(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
(2S)-3-methyl-2-(1-pyridin-3-ylethylcarbamoylamino)pentanoic acid
CID 61198650
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
3-[ethyl(hydroxy)phosphoryl]-2-phenyl-3-pyridin-3-ylpropanoic acid
CID 57212718
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-3-ylpentanoic acid?
The IUPAC name of 3-methyl-2-pyridin-3-ylpentanoic acid (CID 80522853) is 3-methyl-2-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 3-methyl-2-pyridin-3-ylpentanoic acid?
The canonical SMILES for 3-methyl-2-pyridin-3-ylpentanoic acid is CCC(C)C(C(=O)O)c1cccnc1.
What is the InChIKey of 3-methyl-2-pyridin-3-ylpentanoic acid?
The InChIKey is FTWOQVVINJZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8(2)10(11(13)14)9-5-4-6-12-7-9/h4-8,10H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-2-pyridin-3-ylpentanoic acid?
3-methyl-2-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 3-methyl-2-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 80522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).