3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid

C14H18N2O4 — CID 63146663

IUPAC3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20)6-9-16(10-14)12(18)5-8-15-7-3-2-4-11(15)17/h2-4,7H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyGTHYELJMCJPQJC-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.56
Rot. Bonds4

About 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63146663) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63146663
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20)6-9-16(10-14)12(18)5-8-15-7-3-2-4-11(15)17/h2-4,7H,5-6,8-10H2,1H3,(H,19,20)
InChIKeyGTHYELJMCJPQJC-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 63146663) is 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CCn2ccccc2=O)C1.
What is the InChIKey of 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GTHYELJMCJPQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(19)20)6-9-16(10-14)12(18)5-8-15-7-3-2-4-11(15)17/h2-4,7H,5-6,8-10H2,1H3,(H,19,20).
What are the key properties of 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).