(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C19H22N2O — CID 23645380

IUPAC(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1
InChIKeySXNUOZWYDHUUKD-SFHVURJKSA-N
MW294.40 g/mol
LogP2.85
Rot. Bonds4

About (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 23645380) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID23645380
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1
InChIKeySXNUOZWYDHUUKD-SFHVURJKSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3-(4-phenylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 23645380) is (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SXNUOZWYDHUUKD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 294.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 23645380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).