3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one

C13H18N2O2 — CID 62941753

IUPAC3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)8-13(17)15-7-6-11(16)9-15/h1-5,11-12,16H,6-9,14H2
InChIKeyUVMVTJIEOLVEOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds3

About 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one

3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one (PubChem CID 62941753) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
PubChem CID62941753
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)8-13(17)15-7-6-11(16)9-15/h1-5,11-12,16H,6-9,14H2
InChIKeyUVMVTJIEOLVEOK-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

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Related Compounds

4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-benzyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 111970521
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one (CID 62941753) is 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one is NC(CC(=O)N1CCC(O)C1)c1ccccc1.
What is the InChIKey of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is UVMVTJIEOLVEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)8-13(17)15-7-6-11(16)9-15/h1-5,11-12,16H,6-9,14H2.
What are the key properties of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one?
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-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 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 62941753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).