3-(3-aminoazetidin-1-yl)oxolan-2-one

C7H12N2O2 — CID 65250013

IUPAC3-(3-aminoazetidin-1-yl)oxolan-2-one
SMILESNC1CN(C2CCOC2=O)C1
InChIInChI=1S/C7H12N2O2/c8-5-3-9(4-5)6-1-2-11-7(6)10/h5-6H,1-4,8H2
InChIKeyPHOSWTGPXNTPTP-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.06
Rot. Bonds1

About 3-(3-aminoazetidin-1-yl)oxolan-2-one

3-(3-aminoazetidin-1-yl)oxolan-2-one (PubChem CID 65250013) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)oxolan-2-one
PubChem CID65250013
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(3-aminoazetidin-1-yl)oxolan-2-one
SMILESNC1CN(C2CCOC2=O)C1
InChIInChI=1S/C7H12N2O2/c8-5-3-9(4-5)6-1-2-11-7(6)10/h5-6H,1-4,8H2
InChIKeyPHOSWTGPXNTPTP-UHFFFAOYSA-N
XLogP-1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
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 3-(3-aminoazetidin-1-yl)oxolan-2-one?
The IUPAC name of 3-(3-aminoazetidin-1-yl)oxolan-2-one (CID 65250013) is 3-(3-aminoazetidin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)oxolan-2-one is NC1CN(C2CCOC2=O)C1.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)oxolan-2-one?
The InChIKey is PHOSWTGPXNTPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-5-3-9(4-5)6-1-2-11-7(6)10/h5-6H,1-4,8H2.
What are the key properties of 3-(3-aminoazetidin-1-yl)oxolan-2-one?
3-(3-aminoazetidin-1-yl)oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)oxolan-2-one is sourced from PubChem (CID 65250013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).