2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C13H18N2O2 — CID 23572000

IUPAC2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(C(=O)N1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-11(13(17)15-8-4-5-9-15)12(16)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,14H2
InChIKeyOEOWEGMSKWAGGE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds3

About 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 23572000) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID23572000
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(C(=O)N1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-11(13(17)15-8-4-5-9-15)12(16)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,14H2
InChIKeyOEOWEGMSKWAGGE-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-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

(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 143270061
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 10399733

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 23572000) is 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is NC(C(=O)N1CCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OEOWEGMSKWAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11(13(17)15-8-4-5-9-15)12(16)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9,14H2.
What are the key properties of 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 23572000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).