3-amino-4,4-dimethyloxolan-2-one

C6H11NO2 — CID 13247950

IUPAC3-amino-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1N
InChIInChI=1S/C6H11NO2/c1-6(2)3-9-5(8)4(6)7/h4H,3,7H2,1-2H3
InChIKeyFTLXLFPMDCOABE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds

About 3-amino-4,4-dimethyloxolan-2-one

3-amino-4,4-dimethyloxolan-2-one (PubChem CID 13247950) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyloxolan-2-one
PubChem CID13247950
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-amino-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1N
InChIInChI=1S/C6H11NO2/c1-6(2)3-9-5(8)4(6)7/h4H,3,7H2,1-2H3
InChIKeyFTLXLFPMDCOABE-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyloxolan-2-one?
The IUPAC name of 3-amino-4,4-dimethyloxolan-2-one (CID 13247950) is 3-amino-4,4-dimethyloxolan-2-one.
What is the SMILES notation for 3-amino-4,4-dimethyloxolan-2-one?
The canonical SMILES for 3-amino-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)C1N.
What is the InChIKey of 3-amino-4,4-dimethyloxolan-2-one?
The InChIKey is FTLXLFPMDCOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)3-9-5(8)4(6)7/h4H,3,7H2,1-2H3.
What are the key properties of 3-amino-4,4-dimethyloxolan-2-one?
3-amino-4,4-dimethyloxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 13247950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).