1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one

C14H20N2O2 — CID 10957051

IUPAC1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CNCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-13(11-16-8-4-7-14(16)18)10-15-9-12-5-2-1-3-6-12/h1-3,5-6,13,15,17H,4,7-11H2
InChIKeyXUBCCZHRJCCFBO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds6

About 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 10957051) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID10957051
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CNCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-13(11-16-8-4-7-14(16)18)10-15-9-12-5-2-1-3-6-12/h1-3,5-6,13,15,17H,4,7-11H2
InChIKeyXUBCCZHRJCCFBO-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(benzylamino)-2-hydroxypropyl]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

1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635
1-[3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one
CID 10980871
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
CID 97065331
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one (CID 10957051) is 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CNCc1ccccc1.
What is the InChIKey of 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is XUBCCZHRJCCFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13(11-16-8-4-7-14(16)18)10-15-9-12-5-2-1-3-6-12/h1-3,5-6,13,15,17H,4,7-11H2.
What are the key properties of 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 10957051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).