(3S)-3-(methylamino)azetidin-2-one

C4H8N2O — CID 118915758

IUPAC(3S)-3-(methylamino)azetidin-2-one
SMILESCN[C@H]1CNC1=O
InChIInChI=1S/C4H8N2O/c1-5-3-2-6-4(3)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyIJCFTVDSLFGSSB-VKHMYHEASA-N
MW100.12 g/mol
LogP-1.30
Rot. Bonds1

About (3S)-3-(methylamino)azetidin-2-one

(3S)-3-(methylamino)azetidin-2-one (PubChem CID 118915758) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (3S)-3-(methylamino)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)azetidin-2-one
PubChem CID118915758
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(3S)-3-(methylamino)azetidin-2-one
SMILESCN[C@H]1CNC1=O
InChIInChI=1S/C4H8N2O/c1-5-3-2-6-4(3)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyIJCFTVDSLFGSSB-VKHMYHEASA-N
XLogP-1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)azetidin-2-one
CID 123769007
5-methyl-3-(methylamino)azepan-2-one
CID 22985155
3-azabicyclo[3.1.1]heptan-2-one
CID 73425066
5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22985119
6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22985182
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
N-[3-(methylamino)-4-oxo-2,3-dihydro-1H-pyridin-6-yl]acetamide
CID 45119607
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
CID 14813870
5-(methylamino)-1,3-oxazinane-2,4-dione
CID 91451256
6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one
CID 72990723
ethynyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 118933775
(3R)-3-hydroxyazetidin-2-one
CID 97184618

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)azetidin-2-one?
The IUPAC name of (3S)-3-(methylamino)azetidin-2-one (CID 118915758) is (3S)-3-(methylamino)azetidin-2-one.
What is the SMILES notation for (3S)-3-(methylamino)azetidin-2-one?
The canonical SMILES for (3S)-3-(methylamino)azetidin-2-one is CN[C@H]1CNC1=O.
What is the InChIKey of (3S)-3-(methylamino)azetidin-2-one?
The InChIKey is IJCFTVDSLFGSSB-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O/c1-5-3-2-6-4(3)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (3S)-3-(methylamino)azetidin-2-one?
(3S)-3-(methylamino)azetidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)azetidin-2-one is sourced from PubChem (CID 118915758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).