4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

C12H14N2O3 — CID 55225730

IUPAC4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cccnc2)CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8-6-14(7-10(8)12(16)17)11(15)9-3-2-4-13-5-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)
InChIKeyULLHJNQTFAGNTK-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 55225730) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID55225730
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cccnc2)CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8-6-14(7-10(8)12(16)17)11(15)9-3-2-4-13-5-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)
InChIKeyULLHJNQTFAGNTK-UHFFFAOYSA-N
XLogP0.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
(3R,4S)-4-(4-fluorophenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668666
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
(3S,4R)-4-(2,3-dimethoxyphenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70784693
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 55225730) is 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)c2cccnc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ULLHJNQTFAGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-6-14(7-10(8)12(16)17)11(15)9-3-2-4-13-5-9/h2-5,8,10H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55225730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).