3-amino-1-oxidoazetidin-2-one

C3H5N2O2- — CID 88622813

IUPAC3-amino-1-oxidoazetidin-2-one
SMILESNC1CN([O-])C1=O
InChIInChI=1S/C3H5N2O2/c4-2-1-5(7)3(2)6/h2H,1,4H2/q-1
InChIKeyTVUQWMPVWBEOPK-UHFFFAOYSA-N
MW101.08 g/mol
LogP-1.35
Rot. Bonds

About 3-amino-1-oxidoazetidin-2-one

3-amino-1-oxidoazetidin-2-one (PubChem CID 88622813) has the molecular formula C3H5N2O2- and a molecular weight of 101.08 g/mol. Its IUPAC name is 3-amino-1-oxidoazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-oxidoazetidin-2-one
PubChem CID88622813
Molecular FormulaC3H5N2O2-
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name3-amino-1-oxidoazetidin-2-one
SMILESNC1CN([O-])C1=O
InChIInChI=1S/C3H5N2O2/c4-2-1-5(7)3(2)6/h2H,1,4H2/q-1
InChIKeyTVUQWMPVWBEOPK-UHFFFAOYSA-N
XLogP-1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-oxidoazetidin-2-one?
The IUPAC name of 3-amino-1-oxidoazetidin-2-one (CID 88622813) is 3-amino-1-oxidoazetidin-2-one.
What is the SMILES notation for 3-amino-1-oxidoazetidin-2-one?
The canonical SMILES for 3-amino-1-oxidoazetidin-2-one is NC1CN([O-])C1=O.
What is the InChIKey of 3-amino-1-oxidoazetidin-2-one?
The InChIKey is TVUQWMPVWBEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O2/c4-2-1-5(7)3(2)6/h2H,1,4H2/q-1.
What are the key properties of 3-amino-1-oxidoazetidin-2-one?
3-amino-1-oxidoazetidin-2-one has a molecular weight of 101.08 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-oxidoazetidin-2-one is sourced from PubChem (CID 88622813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).