4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one

C14H20N2O2 — CID 107217247

IUPAC4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CC[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-13(11-4-2-1-3-5-11)6-7-14(18)16-9-8-12(17)10-16/h1-5,12-13,17H,6-10,15H2/t12-,13?/m1/s1
InChIKeyQXQAFPZDUZUTKS-PZORYLMUSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one

4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one (PubChem CID 107217247) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
PubChem CID107217247
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CC[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-13(11-4-2-1-3-5-11)6-7-14(18)16-9-8-12(17)10-16/h1-5,12-13,17H,6-10,15H2/t12-,13?/m1/s1
InChIKeyQXQAFPZDUZUTKS-PZORYLMUSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-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

4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
CID 107220236
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one
CID 79029544
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one (CID 107217247) is 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one is NC(CCC(=O)N1CC[C@@H](O)C1)c1ccccc1.
What is the InChIKey of 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is QXQAFPZDUZUTKS-PZORYLMUSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(11-4-2-1-3-5-11)6-7-14(18)16-9-8-12(17)10-16/h1-5,12-13,17H,6-10,15H2/t12-,13?/m1/s1.
What are the key properties of 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one?
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 107217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).