5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one

C14H20N2O2 — CID 20645484

IUPAC5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one
SMILESCC(NC1CC(=O)NC1CCO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-3-2-4-6-11)15-13-9-14(18)16-12(13)7-8-17/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeySFWIREHNOAQJSY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds5

About 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one

5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one (PubChem CID 20645484) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one
PubChem CID20645484
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one
SMILESCC(NC1CC(=O)NC1CCO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-3-2-4-6-11)15-13-9-14(18)16-12(13)7-8-17/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeySFWIREHNOAQJSY-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3r,4r,5r)-3,4-Dihydroxy-5-({[(1r)-2-Hydroxy-1-Phenylethyl]amino}methyl)-1-Methylpyrrolidin-2-One
CID 24832046
N1-benzyl-N3-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N3-methylmalonamide
CID 11749794
(3r,4r,5r)-3,4-Dihydroxy-5-({[(1r)-2-Hydroxy-1-Phenylethyl]amino}methyl)pyrrolidin-2-One
CID 24832045
N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 16726081
(+/-)-2-amino-4-hydroxy-N-(4-octylbenzyl)butanamide
CID 45483233
3-(5-oxo-2-pyrrolidinyl)-N-[(1S)-1-phenylethyl]propanamide
CID 13564432
N-[(3R,4S,5R)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 16726080
(2R)-2-amino-N-benzyl-4-hydroxybutanamide
CID 53364152
Astin G
CID 11762842
Cyclotine
CID 145720576
[(2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyrrolidin-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 44629711
N-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 24818415

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one (CID 20645484) is 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one is CC(NC1CC(=O)NC1CCO)c1ccccc1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one?
The InChIKey is SFWIREHNOAQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-5-3-2-4-6-11)15-13-9-14(18)16-12(13)7-8-17/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18).
What are the key properties of 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one?
5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one is sourced from PubChem (CID 20645484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).