(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one

C9H9BrN2O — CID 124678513

IUPAC(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
SMILESN[C@@H]1CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C9H9BrN2O/c10-6-1-3-7(4-2-6)12-5-8(11)9(12)13/h1-4,8H,5,11H2/t8-/m1/s1
InChIKeyBYRSAVKQQHFGCV-MRVPVSSYSA-N
MW241.09 g/mol
LogP1.12
Rot. Bonds1

About (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one

(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one (PubChem CID 124678513) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
PubChem CID124678513
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
SMILESN[C@@H]1CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C9H9BrN2O/c10-6-1-3-7(4-2-6)12-5-8(11)9(12)13/h1-4,8H,5,11H2/t8-/m1/s1
InChIKeyBYRSAVKQQHFGCV-MRVPVSSYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-1-(4-bromophenyl)azetidin-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

3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
1-(4-bromophenyl)-3-hydroxyazetidin-2-one
CID 141314029
3-(4-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808181
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
CID 130498345
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
CID 125478526
1-(4-bromophenyl)-4-methylpyrrolidin-2-one
CID 76800077
[(3S,5S)-1-(4-bromophenyl)-5-hydroxy-2-oxopiperidin-3-yl]carbamic acid
CID 137357063
1-(4-bromophenyl)-3-(hydroxymethyl)-4,6-dimethyl-1,4-diazepan-2-one
CID 84608075
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
(1R,2R,6R,7R,8S,10R)-4-(4-bromophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99734903
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one?
The IUPAC name of (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one (CID 124678513) is (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one?
The canonical SMILES for (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one is N[C@@H]1CN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one?
The InChIKey is BYRSAVKQQHFGCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-6-1-3-7(4-2-6)12-5-8(11)9(12)13/h1-4,8H,5,11H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one?
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(4-bromophenyl)azetidin-2-one is sourced from PubChem (CID 124678513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).