2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

C14H20N2O3 — CID 72940642

IUPAC2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CC(C)(C)[C@@](C)(O)C2)n1
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(12(17)18)11(15-9)16-7-13(2,3)14(4,19)8-16/h5-6,19H,7-8H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeyIRJPZJKREIJBNA-AWEZNQCLSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds2

About 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 72940642) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID72940642
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CC(C)(C)[C@@](C)(O)C2)n1
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(12(17)18)11(15-9)16-7-13(2,3)14(4,19)8-16/h5-6,19H,7-8H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeyIRJPZJKREIJBNA-AWEZNQCLSA-N
XLogP1.69
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
2-Amino-6-methylpyridine-3-carboxylic acid
CID 2734432
2-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-6-methylpyridine-3-carboxylic acid
CID 122181980
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
6-(Dipropylamino)pyridine-3-carboxylic acid
CID 16775596
6-(Pyrrolidin-1-yl)nicotinic acid
CID 738055
6-Methyl-2-morpholinonicotinic acid
CID 62700965
2-Amino-5,6-dimethylpyridine-3-carboxylic acid
CID 53912271
3-(Diethylamino)indolizine-6-carboxylic acid
CID 118738940
2-Amino-4,6-dimethylnicotinic acid
CID 738127
2-(1-Pyrrolidinyl)nicotinic acid
CID 2794739
3-Pyridinecarboxylic acid, 6-methyl-2-[[4-(4-morpholinyl)phenyl]amino]-
CID 3013286

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 72940642) is 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CC(C)(C)[C@@](C)(O)C2)n1.
What is the InChIKey of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is IRJPZJKREIJBNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-6-10(12(17)18)11(15-9)16-7-13(2,3)14(4,19)8-16/h5-6,19H,7-8H2,1-4H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 72940642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).