3-(3-methyl-4-pyridinyl)propanoic acid

C9H11NO2 — CID 66322322

IUPAC3-(3-methyl-4-pyridinyl)propanoic acid
SMILESCc1cnccc1CCC(=O)O
InChIInChI=1S/C9H11NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyLGLBNLVESBMHSH-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.41
Rot. Bonds3

About 3-(3-methyl-4-pyridinyl)propanoic acid

3-(3-methyl-4-pyridinyl)propanoic acid (PubChem CID 66322322) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)propanoic acid
PubChem CID66322322
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(3-methyl-4-pyridinyl)propanoic acid
SMILESCc1cnccc1CCC(=O)O
InChIInChI=1S/C9H11NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyLGLBNLVESBMHSH-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

3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
3-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008772
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
3-(4-ethoxy-3-pyridinyl)propanoic acid
CID 84666014
3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
CID 84676163
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-heptyl-3-methylpyridine
CID 143666243
2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
CID 148915032
4-[(3-methyl-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114701344
3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
CID 139483442

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-methyl-4-pyridinyl)propanoic acid (CID 66322322) is 3-(3-methyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)propanoic acid is Cc1cnccc1CCC(=O)O.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)propanoic acid?
The InChIKey is LGLBNLVESBMHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-6-10-5-4-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(3-methyl-4-pyridinyl)propanoic acid?
3-(3-methyl-4-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-(3-methyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 66322322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).