3-(aminomethyl)-1,4-dimethylazetidin-2-one

C6H12N2O — CID 20715925

IUPAC3-(aminomethyl)-1,4-dimethylazetidin-2-one
SMILESCC1C(CN)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-4-5(3-7)6(9)8(4)2/h4-5H,3,7H2,1-2H3
InChIKeyQAUUHJPBNXBIIN-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.58
Rot. Bonds1

About 3-(aminomethyl)-1,4-dimethylazetidin-2-one

3-(aminomethyl)-1,4-dimethylazetidin-2-one (PubChem CID 20715925) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1,4-dimethylazetidin-2-one
PubChem CID20715925
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-(aminomethyl)-1,4-dimethylazetidin-2-one
SMILESCC1C(CN)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-4-5(3-7)6(9)8(4)2/h4-5H,3,7H2,1-2H3
InChIKeyQAUUHJPBNXBIIN-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-1,4-dimethylazetidin-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

1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one
CID 163862461
(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
CID 11286503
1,4-dimethyl-3-[[methyl(phosphanyl)amino]methyl]azetidin-2-one
CID 20715761
2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
CID 20715800
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
CID 83845475
4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
CID 105428130
2-(aminomethyl)-4,5-dimethylmorpholin-3-one
CID 171532110
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 166506249
1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 54373210
N-carbamoyl-2-[(2S,3R,6S)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
CID 125421909
N-carbamoyl-2-[(2R,3R,6R)-2,3,4,6-tetramethyl-5-oxopiperazin-1-yl]acetamide
CID 125421908

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,4-dimethylazetidin-2-one?
The IUPAC name of 3-(aminomethyl)-1,4-dimethylazetidin-2-one (CID 20715925) is 3-(aminomethyl)-1,4-dimethylazetidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1,4-dimethylazetidin-2-one?
The canonical SMILES for 3-(aminomethyl)-1,4-dimethylazetidin-2-one is CC1C(CN)C(=O)N1C.
What is the InChIKey of 3-(aminomethyl)-1,4-dimethylazetidin-2-one?
The InChIKey is QAUUHJPBNXBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(3-7)6(9)8(4)2/h4-5H,3,7H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1,4-dimethylazetidin-2-one?
3-(aminomethyl)-1,4-dimethylazetidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,4-dimethylazetidin-2-one is sourced from PubChem (CID 20715925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).