2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

C12H14N2O4 — CID 61372229

IUPAC2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-8-3-2-6-14(8)12(18)9-4-1-5-13-11(9)17/h1,4-5,8H,2-3,6-7H2,(H,13,17)(H,15,16)
InChIKeyGDEUSUJYHBXTOM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.45
Rot. Bonds3

About 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372229) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372229
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-8-3-2-6-14(8)12(18)9-4-1-5-13-11(9)17/h1,4-5,8H,2-3,6-7H2,(H,13,17)(H,15,16)
InChIKeyGDEUSUJYHBXTOM-UHFFFAOYSA-N
XLogP0.45
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methyl-2H-pyridine-3-carbonyl)amino]hexanoic acid
CID 20132330
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24702549
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24703292
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
(S)-1-(2-Oxo-1,2-dihydropyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28199689
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28199692
(2S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201529
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28201531
6-[3-(2-Oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150885
6-[3-(3-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150888
6-[[2,2-Dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
CID 39150934

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61372229) is 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is GDEUSUJYHBXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(16)7-8-3-2-6-14(8)12(18)9-4-1-5-13-11(9)17/h1,4-5,8H,2-3,6-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).