(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate

C5H9N3O3 — CID 152516831

IUPAC(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate
SMILESCN1C(=O)C(N)C1OC(N)=O
InChIInChI=1S/C5H9N3O3/c1-8-3(9)2(6)4(8)11-5(7)10/h2,4H,6H2,1H3,(H2,7,10)
InChIKeyYGRPOJNCJMYKJZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.79
Rot. Bonds1

About (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate

(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate (PubChem CID 152516831) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate.

Molecular Properties

Compound Name(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate
PubChem CID152516831
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate
SMILESCN1C(=O)C(N)C1OC(N)=O
InChIInChI=1S/C5H9N3O3/c1-8-3(9)2(6)4(8)11-5(7)10/h2,4H,6H2,1H3,(H2,7,10)
InChIKeyYGRPOJNCJMYKJZ-UHFFFAOYSA-N
XLogP-1.79
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate?
The IUPAC name of (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate (CID 152516831) is (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate.
What is the SMILES notation for (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate?
The canonical SMILES for (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate is CN1C(=O)C(N)C1OC(N)=O.
What is the InChIKey of (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate?
The InChIKey is YGRPOJNCJMYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-8-3(9)2(6)4(8)11-5(7)10/h2,4H,6H2,1H3,(H2,7,10).
What are the key properties of (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate?
(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate has a molecular weight of 159.14 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate is sourced from PubChem (CID 152516831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).