(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C14H20N2O2 — CID 143270061

IUPAC(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1[C@H](O)[C@@H](N)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-6-2-3-7-11(10)13(17)12(15)14(18)16-8-4-5-9-16/h2-3,6-7,12-13,17H,4-5,8-9,15H2,1H3/t12-,13+/m1/s1
InChIKeyVOLUYTXKWXIDLH-OLZOCXBDSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one

(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 143270061) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID143270061
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1[C@H](O)[C@@H](N)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-6-2-3-7-11(10)13(17)12(15)14(18)16-8-4-5-9-16/h2-3,6-7,12-13,17H,4-5,8-9,15H2,1H3/t12-,13+/m1/s1
InChIKeyVOLUYTXKWXIDLH-OLZOCXBDSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-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 (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 143270061) is (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccccc1[C@H](O)[C@@H](N)C(=O)N1CCCC1.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VOLUYTXKWXIDLH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-2-3-7-11(10)13(17)12(15)14(18)16-8-4-5-9-16/h2-3,6-7,12-13,17H,4-5,8-9,15H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 143270061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).