3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

C12H14N2O4 — CID 114040074

IUPAC3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H14N2O4/c1-12(11(17)18)5-6-14(7-12)10(16)8-3-2-4-9(15)13-8/h2-4H,5-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyVAYBQMOGWAQAPM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 114040074) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID114040074
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H14N2O4/c1-12(11(17)18)5-6-14(7-12)10(16)8-3-2-4-9(15)13-8/h2-4H,5-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyVAYBQMOGWAQAPM-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114082421
3-methyl-1-(3-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63142915
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257549
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
6-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 106316330
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 114040074) is 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VAYBQMOGWAQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(11(17)18)5-6-14(7-12)10(16)8-3-2-4-9(15)13-8/h2-4H,5-7H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114040074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).