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

C13H16N2O4 — CID 43170955

IUPAC1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19)
InChIKeyIULHIHYQOGIQAP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.31
Rot. Bonds4

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

1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43170955) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43170955
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19)
InChIKeyIULHIHYQOGIQAP-UHFFFAOYSA-N
XLogP0.31
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-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

Related Compounds

(2R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371374
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-2-carboxylic acid
CID 167803267
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54283131
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54419282
1-[4-(Dimethylamino)but-2-enoyl]pyrrolidine-2-carboxylic acid
CID 69220526
(2S)-1-[4-(dimethylamino)but-2-enoyl]pyrrolidine-2-carboxylic acid
CID 69323778
(2S)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 138585431
(2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 138585479
(2R)-1-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 138585607
(2R)-1-(2,5-dimethylhexa-2,4-dienoyl)pyrrolidine-2-carboxylic acid
CID 141145573
(2S)-1-[3-(2,5-dioxopyrrol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 166721565
1-[2-(3-Nitro-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylic acid
CID 175204342

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43170955) is 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IULHIHYQOGIQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19).
What are the key properties of 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).