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

C13H18N2O2 — CID 168698960

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

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

4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one (PubChem CID 168698960) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
PubChem CID168698960
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(CCC(O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-11-8-13(17)15(9-11)7-6-12(16)10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChIKeyHNUIXZMDHNKCLS-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

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Related Compounds

4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
2-(3-hydroxy-3-phenylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 116693206
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
CID 168698922
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
(5R)-5-tert-butyl-1-[(3R)-3-hydroxy-3-phenylpropyl]azepan-2-one
CID 101045284
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one (CID 168698960) is 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one is NC1CC(=O)N(CCC(O)c2ccccc2)C1.
What is the InChIKey of 4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is HNUIXZMDHNKCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-8-13(17)15(9-11)7-6-12(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-3-phenylpropyl)pyrrolidin-2-one?
4-amino-1-(3-hydroxy-3-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-3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168698960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).