4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one

C12H16N2O2 — CID 168698967

IUPAC4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10?,11-/m1/s1
InChIKeyIROZFVORHXFCGF-RRKGBCIJSA-N
MW220.27 g/mol
LogP0.28
Rot. Bonds3

About 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one

4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one (PubChem CID 168698967) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
PubChem CID168698967
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10?,11-/m1/s1
InChIKeyIROZFVORHXFCGF-RRKGBCIJSA-N
XLogP0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
CID 168698922
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
CID 168699407
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one (CID 168698967) is 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one is NC1CC(=O)N(C[C@@H](O)c2ccccc2)C1.
What is the InChIKey of 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is IROZFVORHXFCGF-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10?,11-/m1/s1.
What are the key properties of 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one?
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 168698967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).