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

C12H14N2O3 — CID 63142817

IUPAC3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H14N2O3/c1-12(11(16)17)4-6-14(8-12)10(15)9-3-2-5-13-7-9/h2-3,5,7H,4,6,8H2,1H3,(H,16,17)
InChIKeyWWIRIGOSOZCPQP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds2

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

3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63142817) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63142817
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H14N2O3/c1-12(11(16)17)4-6-14(8-12)10(15)9-3-2-5-13-7-9/h2-3,5,7H,4,6,8H2,1H3,(H,16,17)
InChIKeyWWIRIGOSOZCPQP-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
1-[[cyclopropyl(pyridin-3-yl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122008111
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529089
3-methyl-1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529248
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 63142817) is 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cccnc2)C1.
What is the InChIKey of 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WWIRIGOSOZCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(11(16)17)4-6-14(8-12)10(15)9-3-2-5-13-7-9/h2-3,5,7H,4,6,8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63142817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).