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

C6H11NO2 — CID 59657819

IUPAC4-amino-3,3-dimethyloxolan-2-one
SMILESCC1(C)C(=O)OCC1N
InChIInChI=1S/C6H11NO2/c1-6(2)4(7)3-9-5(6)8/h4H,3,7H2,1-2H3
InChIKeyQCVHZRJJWCOLQQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds

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

4-amino-3,3-dimethyloxolan-2-one (PubChem CID 59657819) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-amino-3,3-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-amino-3,3-dimethyloxolan-2-one
PubChem CID59657819
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-amino-3,3-dimethyloxolan-2-one
SMILESCC1(C)C(=O)OCC1N
InChIInChI=1S/C6H11NO2/c1-6(2)4(7)3-9-5(6)8/h4H,3,7H2,1-2H3
InChIKeyQCVHZRJJWCOLQQ-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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Related Compounds

4-amino-3,3-dimethyloxan-2-one
CID 59657923
4-amino-3,3,5,5-tetramethyloxan-2-one
CID 14723652
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(1S,5R)-1-trimethylsilyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102139775
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
CID 70018181
5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
CID 175887369
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyloxolan-2-one?
The IUPAC name of 4-amino-3,3-dimethyloxolan-2-one (CID 59657819) is 4-amino-3,3-dimethyloxolan-2-one.
What is the SMILES notation for 4-amino-3,3-dimethyloxolan-2-one?
The canonical SMILES for 4-amino-3,3-dimethyloxolan-2-one is CC1(C)C(=O)OCC1N.
What is the InChIKey of 4-amino-3,3-dimethyloxolan-2-one?
The InChIKey is QCVHZRJJWCOLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)4(7)3-9-5(6)8/h4H,3,7H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethyloxolan-2-one?
4-amino-3,3-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 4-amino-3,3-dimethyloxolan-2-one is sourced from PubChem (CID 59657819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).