(2R)-2-methyl-3-pyridin-3-ylpropanoic acid

C9H11NO2 — CID 42079653

IUPAC(2R)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESC[C@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/C9H11NO2/c1-7(9(11)12)5-8-3-2-4-10-6-8/h2-4,6-7H,5H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyDZRWATJWDHWPJW-SSDOTTSWSA-N
MW165.19 g/mol
LogP1.34
Rot. Bonds3

About (2R)-2-methyl-3-pyridin-3-ylpropanoic acid

(2R)-2-methyl-3-pyridin-3-ylpropanoic acid (PubChem CID 42079653) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2R)-2-methyl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-pyridin-3-ylpropanoic acid
PubChem CID42079653
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2R)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESC[C@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/C9H11NO2/c1-7(9(11)12)5-8-3-2-4-10-6-8/h2-4,6-7H,5H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyDZRWATJWDHWPJW-SSDOTTSWSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyridineacetic acid
CID 108
Isbogrel
CID 5284442
3-Pyridinepropanol
CID 17861
Azd-9684
CID 87609775
4-Oxo-4-(3-pyridyl)butyric acid
CID 437
3-Pyridinebutanoic acid
CID 114
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-4-yl)propanoic acid
CID 233243
L-4-Pyridylalanine
CID 7009701
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
4-Hydroxy-4-(3-pyridyl)butanoic acid
CID 438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (2R)-2-methyl-3-pyridin-3-ylpropanoic acid (CID 42079653) is (2R)-2-methyl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (2R)-2-methyl-3-pyridin-3-ylpropanoic acid is C[C@H](Cc1cccnc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-pyridin-3-ylpropanoic acid?
The InChIKey is DZRWATJWDHWPJW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(9(11)12)5-8-3-2-4-10-6-8/h2-4,6-7H,5H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-3-pyridin-3-ylpropanoic acid?
(2R)-2-methyl-3-pyridin-3-ylpropanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 42079653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).