1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid

C12H15N3O3 — CID 43517695

IUPAC1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)c1cc(N2CCCC2C(=O)O)ccn1
InChIInChI=1S/C12H15N3O3/c1-13-11(16)9-7-8(4-5-14-9)15-6-2-3-10(15)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyUVTPPZLUSPWHOG-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid

1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 43517695) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID43517695
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)c1cc(N2CCCC2C(=O)O)ccn1
InChIInChI=1S/C12H15N3O3/c1-13-11(16)9-7-8(4-5-14-9)15-6-2-3-10(15)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyUVTPPZLUSPWHOG-UHFFFAOYSA-N
XLogP0.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (CID 43517695) is 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is CNC(=O)c1cc(N2CCCC2C(=O)O)ccn1.
What is the InChIKey of 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UVTPPZLUSPWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-11(16)9-7-8(4-5-14-9)15-6-2-3-10(15)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43517695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).