3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid

C11H11N3O4 — CID 114039454

IUPAC3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESO=C1CC[C@H](C(=O)Nc2cnccc2C(=O)O)N1
InChIInChI=1S/C11H11N3O4/c15-9-2-1-7(13-9)10(16)14-8-5-12-4-3-6(8)11(17)18/h3-5,7H,1-2H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyPMMIPGFOSAIHIN-SSDOTTSWSA-N
MW249.23 g/mol
LogP-0.00
Rot. Bonds3

About 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid

3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid (PubChem CID 114039454) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
PubChem CID114039454
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESO=C1CC[C@H](C(=O)Nc2cnccc2C(=O)O)N1
InChIInChI=1S/C11H11N3O4/c15-9-2-1-7(13-9)10(16)14-8-5-12-4-3-6(8)11(17)18/h3-5,7H,1-2H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyPMMIPGFOSAIHIN-SSDOTTSWSA-N
XLogP-0.00
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 55178259
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
4-nitro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63110780
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
4-fluoroaniline;4-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 68846597
5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 93058416
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119494514

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid (CID 114039454) is 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid is O=C1CC[C@H](C(=O)Nc2cnccc2C(=O)O)N1.
What is the InChIKey of 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid?
The InChIKey is PMMIPGFOSAIHIN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-9-2-1-7(13-9)10(16)14-8-5-12-4-3-6(8)11(17)18/h3-5,7H,1-2H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1.
What are the key properties of 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid?
3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114039454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).