4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid

C20H22N2O4 — CID 70720465

IUPAC4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)cc1
InChIInChI=1S/C20H22N2O4/c23-18-3-1-2-10-21(18)12-9-19(24)22-11-8-16(14-22)13-15-4-6-17(7-5-15)20(25)26/h1-7,10,16H,8-9,11-14H2,(H,25,26)
InChIKeyCHRFLRQGSNLIOK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.03
Rot. Bonds6

About 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid

4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid (PubChem CID 70720465) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
PubChem CID70720465
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)cc1
InChIInChI=1S/C20H22N2O4/c23-18-3-1-2-10-21(18)12-9-19(24)22-11-8-16(14-22)13-15-4-6-17(7-5-15)20(25)26/h1-7,10,16H,8-9,11-14H2,(H,25,26)
InChIKeyCHRFLRQGSNLIOK-UHFFFAOYSA-N
XLogP2.03
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70739631
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
3-(1,3-dihydroisoindol-2-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 70717709
4-[[1-(3-ethoxypropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56910343
(4aS,8aS)-6-[3-(2-oxo-1-pyridinyl)propanoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147167
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
4-(1,3-dihydroisoindol-2-yl)-1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 166618263
1-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 155500037
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
4-[[(3S)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95862686

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid?
The IUPAC name of 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid (CID 70720465) is 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid is O=C(O)c1ccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)cc1.
What is the InChIKey of 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid?
The InChIKey is CHRFLRQGSNLIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18-3-1-2-10-21(18)12-9-19(24)22-11-8-16(14-22)13-15-4-6-17(7-5-15)20(25)26/h1-7,10,16H,8-9,11-14H2,(H,25,26).
What are the key properties of 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid?
4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid is sourced from PubChem (CID 70720465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).