4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one

C13H18N2O2 — CID 168698922

IUPAC4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(CCO)c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-11-8-13(17)15(9-11)12(6-7-16)10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChIKeyZOWGLDYXSDITDR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds4

About 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one

4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one (PubChem CID 168698922) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
PubChem CID168698922
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(CCO)c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-11-8-13(17)15(9-11)12(6-7-16)10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChIKeyZOWGLDYXSDITDR-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one 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

3-(4-amino-2-oxopyrrolidin-1-yl)-3-(3-bromophenyl)propanoic acid
CID 168698905
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 68806012
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
4-chloro-1-[3-hydroxy-1-(4-methylphenyl)propyl]pyrrolidin-2-one
CID 168687009
4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
1-(2-carboxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690290
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716577
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one (CID 168698922) is 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one is NC1CC(=O)N(C(CCO)c2ccccc2)C1.
What is the InChIKey of 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one?
The InChIKey is ZOWGLDYXSDITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-8-13(17)15(9-11)12(6-7-16)10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2.
What are the key properties of 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one?
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168698922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).