3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid

C20H22N2O3 — CID 18990902

IUPAC3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid
SMILESNCc1ccc(N2CCC(c3ccc(CCC(=O)O)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c21-13-15-3-8-17(9-4-15)22-12-11-18(20(22)25)16-6-1-14(2-7-16)5-10-19(23)24/h1-4,6-9,18H,5,10-13,21H2,(H,23,24)
InChIKeyGVDRKJRGXICASR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds6

About 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid

3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid (PubChem CID 18990902) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid
PubChem CID18990902
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid
SMILESNCc1ccc(N2CCC(c3ccc(CCC(=O)O)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c21-13-15-3-8-17(9-4-15)22-12-11-18(20(22)25)16-6-1-14(2-7-16)5-10-19(23)24/h1-4,6-9,18H,5,10-13,21H2,(H,23,24)
InChIKeyGVDRKJRGXICASR-UHFFFAOYSA-N
XLogP2.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic 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

methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]phenyl]propanoate
CID 18991091
3-[4-[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopiperidin-1-yl]phenyl]propanoic acid
CID 10479888
3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
CID 70078117
3-[4-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]propanoic acid
CID 103979379
3-[4-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]propanoic acid
CID 102689477
3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
CID 168698330
3-[4-[1-(4-carbamimidoylphenyl)-2-oxoimidazolidin-4-yl]phenyl]propanoic acid
CID 22098882
3-[4-[3-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70086129
1-(4-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 43378466
3-[4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
CID 115341063
3-[4-[3-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70073197
3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid
CID 67579037

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid (CID 18990902) is 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid is NCc1ccc(N2CCC(c3ccc(CCC(=O)O)cc3)C2=O)cc1.
What is the InChIKey of 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid?
The InChIKey is GVDRKJRGXICASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-13-15-3-8-17(9-4-15)22-12-11-18(20(22)25)16-6-1-14(2-7-16)5-10-19(23)24/h1-4,6-9,18H,5,10-13,21H2,(H,23,24).
What are the key properties of 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid?
3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid has a molecular weight of 338.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 18990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).