(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one

C10H11ClN2O — CID 95733150

IUPAC(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c1-13-9(8(12)10(13)14)6-2-4-7(11)5-3-6/h2-5,8-9H,12H2,1H3/t8-,9-/m1/s1
InChIKeyQZJGSLDHBOPDRJ-RKDXNWHRSA-N
MW210.66 g/mol
LogP1.18
Rot. Bonds1

About (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one

(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one (PubChem CID 95733150) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
PubChem CID95733150
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c1-13-9(8(12)10(13)14)6-2-4-7(11)5-3-6/h2-5,8-9H,12H2,1H3/t8-,9-/m1/s1
InChIKeyQZJGSLDHBOPDRJ-RKDXNWHRSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-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

(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340
3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102537065
2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 175389640
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892
(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
CID 11784131
(3S,4S)-1-tert-butyl-4-(4-chlorophenyl)-3-methylazetidin-2-one
CID 11288191

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one (CID 95733150) is (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one is CN1C(=O)[C@H](N)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one?
The InChIKey is QZJGSLDHBOPDRJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13-9(8(12)10(13)14)6-2-4-7(11)5-3-6/h2-5,8-9H,12H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one?
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one is sourced from PubChem (CID 95733150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).