2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

C12H14N2O4 — CID 61370066

IUPAC2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-10-4-3-8(7-13-10)12(18)14-5-1-2-9(14)6-11(16)17/h3-4,7,9H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyIPHVRQAFQLKZLO-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.45
Rot. Bonds3

About 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370066) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370066
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-10-4-3-8(7-13-10)12(18)14-5-1-2-9(14)6-11(16)17/h3-4,7,9H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyIPHVRQAFQLKZLO-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

8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
ethane;2-[(2S,3E,4E)-3-ethylidene-5-oxo-4-prop-2-enylidenepyrrolidin-2-yl]acetic acid
CID 145183249
2-[(2S,3E,4E)-3-ethylidene-5-oxo-4-prop-2-enylidenepyrrolidin-2-yl]acetic acid
CID 145183250
ethane;2-[(3E,4E)-3-ethylidene-5-oxo-4-prop-2-enylidenepyrrolidin-2-yl]acetic acid
CID 145183254
2-[(2S,3E,4E)-3,4-di(ethylidene)-5-oxopyrrolidin-2-yl]acetic acid
CID 166723582
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24695413
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24709510
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
(2S)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28182790
(2R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28182792
(2S)-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28213044

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61370066) is 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is IPHVRQAFQLKZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-4-3-8(7-13-10)12(18)14-5-1-2-9(14)6-11(16)17/h3-4,7,9H,1-2,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(6-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-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).