3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one

C10H16N2O2 — CID 130505238

IUPAC3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one
SMILESNC1CN(CC2CC3CCC2O3)C1=O
InChIInChI=1S/C10H16N2O2/c11-8-5-12(10(8)13)4-6-3-7-1-2-9(6)14-7/h6-9H,1-5,11H2
InChIKeyZONARYPYSCZLLA-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.28
Rot. Bonds2

About 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one

3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one (PubChem CID 130505238) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one
PubChem CID130505238
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one
SMILESNC1CN(CC2CC3CCC2O3)C1=O
InChIInChI=1S/C10H16N2O2/c11-8-5-12(10(8)13)4-6-3-7-1-2-9(6)14-7/h6-9H,1-5,11H2
InChIKeyZONARYPYSCZLLA-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione
CID 130505208
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine
CID 130505212
4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole
CID 130505240
7-oxabicyclo[2.2.1]heptan-2-ylmethanesulfonic acid
CID 156806173
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 64912759
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
(3aS,4R,7S,7aR)-2-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 155963249
N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 115626065
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 114267410

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one (CID 130505238) is 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one is NC1CN(CC2CC3CCC2O3)C1=O.
What is the InChIKey of 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one?
The InChIKey is ZONARYPYSCZLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-8-5-12(10(8)13)4-6-3-7-1-2-9(6)14-7/h6-9H,1-5,11H2.
What are the key properties of 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one?
3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)azetidin-2-one is sourced from PubChem (CID 130505238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).