1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13N3O3 — CID 43517516

IUPAC1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cc(N2CCCC2C(=O)O)ccn1
InChIInChI=1S/C11H13N3O3/c12-10(15)8-6-7(3-4-13-8)14-5-1-2-9(14)11(16)17/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,16,17)
InChIKeyXTBGIXHCOABPBO-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 43517516) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID43517516
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cc(N2CCCC2C(=O)O)ccn1
InChIInChI=1S/C11H13N3O3/c12-10(15)8-6-7(3-4-13-8)14-5-1-2-9(14)11(16)17/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,16,17)
InChIKeyXTBGIXHCOABPBO-UHFFFAOYSA-N
XLogP0.23
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-carbamoyl-4-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid (CID 43517516) is 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid is NC(=O)c1cc(N2CCCC2C(=O)O)ccn1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XTBGIXHCOABPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-10(15)8-6-7(3-4-13-8)14-5-1-2-9(14)11(16)17/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,16,17).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43517516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).