(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one

C10H10Cl2N2O — CID 124504400

IUPAC(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
SMILESCN1C(=O)[C@@H](N)[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-14-9(8(13)10(14)15)6-3-2-5(11)4-7(6)12/h2-4,8-9H,13H2,1H3/t8-,9-/m0/s1
InChIKeyGHKAGPDBHJUHIQ-IUCAKERBSA-N
MW245.11 g/mol
LogP1.83
Rot. Bonds1

About (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one

(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one (PubChem CID 124504400) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
PubChem CID124504400
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
SMILESCN1C(=O)[C@@H](N)[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-14-9(8(13)10(14)15)6-3-2-5(11)4-7(6)12/h2-4,8-9H,13H2,1H3/t8-,9-/m0/s1
InChIKeyGHKAGPDBHJUHIQ-IUCAKERBSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
CID 90718788
(3S,4S)-3-(2,4-dichlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 125369939
4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374961
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
(2S,6R,7R)-7-(2,4-dichlorophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 987946

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one (CID 124504400) is (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one is CN1C(=O)[C@@H](N)[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one?
The InChIKey is GHKAGPDBHJUHIQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-14-9(8(13)10(14)15)6-3-2-5(11)4-7(6)12/h2-4,8-9H,13H2,1H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one?
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one has a molecular weight of 245.11 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one is sourced from PubChem (CID 124504400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).