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

C10H13NO2 — CID 115008773

IUPAC2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
SMILESCc1cnccc1CC(C)C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(10(12)13)5-9-3-4-11-6-8(9)2/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyLJTLRPRAAFZDIZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.65
Rot. Bonds3

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

2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid (PubChem CID 115008773) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
PubChem CID115008773
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
SMILESCc1cnccc1CC(C)C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(10(12)13)5-9-3-4-11-6-8(9)2/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyLJTLRPRAAFZDIZ-UHFFFAOYSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902
3-furo[2,3-c]pyridin-3-yl-2-methylpropanoic acid
CID 84778212
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701387
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701398
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid
CID 84679936
(2S)-3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 104941438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid (CID 115008773) is 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid is Cc1cnccc1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid?
The InChIKey is LJTLRPRAAFZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(10(12)13)5-9-3-4-11-6-8(9)2/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid?
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 115008773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).