1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 3102736

IUPAC1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16)
InChIKeyVHACSPGAMLSZBK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.77
Rot. Bonds2

About 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 3102736) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID3102736
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16)
InChIKeyVHACSPGAMLSZBK-UHFFFAOYSA-N
XLogP0.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
Nicotinuric Acid
CID 68499
4-((3-Pyridinylcarbonyl)amino)butanoic acid
CID 60608
N,N-Dimethylnicotinamide
CID 81444
N,N-Dipropylnicotinamide
CID 139084
L-Nicotianine
CID 12313328
(3S)-4-oxo-3-(pyridin-3-ylformamido)butanoic acid
CID 9859323
N-(pyridin-3-ylcarbonyl)valine
CID 299354
Glycine, N-(3-pyridinylcarbonyl)-, methyl ester
CID 521804
2-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}acetic acid
CID 4076920
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-phenylpropanoic acid
CID 3236492
Sodium 2-[(3-pyridinylcarbonyl)amino]propanoate
CID 23690383

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 3102736) is 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cccnc1.
What is the InChIKey of 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VHACSPGAMLSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16).
What are the key properties of 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3102736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).