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

C6H11NO2 — CID 126990472

IUPAC4-amino-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(N)C1=O
InChIInChI=1S/C6H11NO2/c1-6(2)5(8)4(7)3-9-6/h4H,3,7H2,1-2H3
InChIKeyXGSFMNXKQMBMFG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.31
Rot. Bonds

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

4-amino-2,2-dimethyloxolan-3-one (PubChem CID 126990472) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-amino-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-amino-2,2-dimethyloxolan-3-one
PubChem CID126990472
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-amino-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(N)C1=O
InChIInChI=1S/C6H11NO2/c1-6(2)5(8)4(7)3-9-6/h4H,3,7H2,1-2H3
InChIKeyXGSFMNXKQMBMFG-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
CID 131123212
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
4-(2,2-difluoroethyl)-2,2-dimethyloxolan-3-one
CID 130706345
4-(1-aminopropyl)-2,2-dimethyloxolan-3-one
CID 131115168
5-amino-7,7-dimethyloxepane-2,6-dione
CID 118241040
methyl (3R)-5,5-dimethyl-4-oxooxolane-3-carboxylate
CID 124563040
4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
CID 130825895
2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
CID 130927858
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
CID 130927246
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
3-amino-1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 163437517

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-amino-2,2-dimethyloxolan-3-one (CID 126990472) is 4-amino-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-amino-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-amino-2,2-dimethyloxolan-3-one is CC1(C)OCC(N)C1=O.
What is the InChIKey of 4-amino-2,2-dimethyloxolan-3-one?
The InChIKey is XGSFMNXKQMBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)5(8)4(7)3-9-6/h4H,3,7H2,1-2H3.
What are the key properties of 4-amino-2,2-dimethyloxolan-3-one?
4-amino-2,2-dimethyloxolan-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 126990472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).