[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate

C7H12N2O3 — CID 54257749

IUPAC[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate
SMILESCNC1C(=O)N(C)C1OC(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)12-7-5(8-2)6(11)9(7)3/h5,7-8H,1-3H3
InChIKeyRBGZFSXRKHFGCH-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.06
Rot. Bonds2

About [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate

[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate (PubChem CID 54257749) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate
PubChem CID54257749
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate
SMILESCNC1C(=O)N(C)C1OC(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)12-7-5(8-2)6(11)9(7)3/h5,7-8H,1-3H3
InChIKeyRBGZFSXRKHFGCH-UHFFFAOYSA-N
XLogP-1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate (CID 54257749) is [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate is CNC1C(=O)N(C)C1OC(C)=O.
What is the InChIKey of [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate?
The InChIKey is RBGZFSXRKHFGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(10)12-7-5(8-2)6(11)9(7)3/h5,7-8H,1-3H3.
What are the key properties of [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate?
[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate has a molecular weight of 172.18 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 54257749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).