3-(5-methyl-2-pyridinyl)propanoic acid

C9H11NO2 — CID 79002141

IUPAC3-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)nc1
InChIInChI=1S/C9H11NO2/c1-7-2-3-8(10-6-7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyNQPVZTSPKGOTNZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.41
Rot. Bonds3

About 3-(5-methyl-2-pyridinyl)propanoic acid

3-(5-methyl-2-pyridinyl)propanoic acid (PubChem CID 79002141) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)propanoic acid
PubChem CID79002141
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)nc1
InChIInChI=1S/C9H11NO2/c1-7-2-3-8(10-6-7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyNQPVZTSPKGOTNZ-UHFFFAOYSA-N
XLogP1.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(5-methyl-2-pyridinyl)propanamide
CID 15133713
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
3-(5-methylpyrazin-2-yl)propanoic acid
CID 82414330
3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
CID 162738245
3-(6-methylpyridazin-3-yl)propanoic acid
CID 23008642
3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid
CID 174722222
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(5-methyl-2-pyridinyl)propanoic acid (CID 79002141) is 3-(5-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)propanoic acid is Cc1ccc(CCC(=O)O)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)propanoic acid?
The InChIKey is NQPVZTSPKGOTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-2-3-8(10-6-7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-(5-methyl-2-pyridinyl)propanoic acid?
3-(5-methyl-2-pyridinyl)propanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 79002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).