2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid

C14H18N2O4 — CID 61371067

IUPAC2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H18N2O4/c17-12-5-1-2-7-15(12)9-6-13(18)16-8-3-4-11(16)10-14(19)20/h1-2,5,7,11H,3-4,6,8-10H2,(H,19,20)
InChIKeyLSHXGGUOIJAJGX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.70
Rot. Bonds5

About 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid

2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371067) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371067
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H18N2O4/c17-12-5-1-2-7-15(12)9-6-13(18)16-8-3-4-11(16)10-14(19)20/h1-2,5,7,11H,3-4,6,8-10H2,(H,19,20)
InChIKeyLSHXGGUOIJAJGX-UHFFFAOYSA-N
XLogP0.70
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-Methylidene-5-oxopyrrol-1-yl)hexanoic acid;hydrate
CID 165002731
6-[3-(2-Oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150885
1-[3-(2-Oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43170955
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid
CID 43171086
2-[1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010108
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136973
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61369881
2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372229
2-(1-Hexa-2,4-dienoylpyrrolidin-2-yl)acetic acid
CID 61372230
2-[1-(1-Methyl-2-oxopyridine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372241
2-(1-But-2-enoylpyrrolidin-2-yl)acetic acid
CID 61372810
6-(2-Oxopyridin-1(2H)-yl)hexanoic acid
CID 64298382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid (CID 61371067) is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is LSHXGGUOIJAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-5-1-2-7-15(12)9-6-13(18)16-8-3-4-11(16)10-14(19)20/h1-2,5,7,11H,3-4,6,8-10H2,(H,19,20).
What are the key properties of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).