1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

C13H16N2O4 — CID 55149514

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-5-8(2)14-11(16)10(7)12(17)15-4-3-9(6-15)13(18)19/h5,9H,3-4,6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyHPRJCYHAXVNISC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.54
Rot. Bonds2

About 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 55149514) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID55149514
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-5-8(2)14-11(16)10(7)12(17)15-4-3-9(6-15)13(18)19/h5,9H,3-4,6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyHPRJCYHAXVNISC-UHFFFAOYSA-N
XLogP0.54
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 55149514) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CCC(C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HPRJCYHAXVNISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-5-8(2)14-11(16)10(7)12(17)15-4-3-9(6-15)13(18)19/h5,9H,3-4,6H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55149514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).