2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one

C9H18N2O — CID 66660321

IUPAC2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)7(10)8(12)11-5-4-6-11/h7H,4-6,10H2,1-3H3
InChIKeyBTEWYVYQEYNZAY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds1

About 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 66660321) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID66660321
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)7(10)8(12)11-5-4-6-11/h7H,4-6,10H2,1-3H3
InChIKeyBTEWYVYQEYNZAY-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-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 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one (CID 66660321) is 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)N1CCC1.
What is the InChIKey of 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is BTEWYVYQEYNZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)7(10)8(12)11-5-4-6-11/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 66660321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).