4-amino-5,5-dimethyloxolan-3-ol

C6H13NO2 — CID 134891641

IUPAC4-amino-5,5-dimethyloxolan-3-ol
SMILESCC1(C)OCC(O)C1N
InChIInChI=1S/C6H13NO2/c1-6(2)5(7)4(8)3-9-6/h4-5,8H,3,7H2,1-2H3
InChIKeyHGOWPJHMLDMOQQ-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.52
Rot. Bonds

About 4-amino-5,5-dimethyloxolan-3-ol

4-amino-5,5-dimethyloxolan-3-ol (PubChem CID 134891641) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-amino-5,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name4-amino-5,5-dimethyloxolan-3-ol
PubChem CID134891641
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-amino-5,5-dimethyloxolan-3-ol
SMILESCC1(C)OCC(O)C1N
InChIInChI=1S/C6H13NO2/c1-6(2)5(7)4(8)3-9-6/h4-5,8H,3,7H2,1-2H3
InChIKeyHGOWPJHMLDMOQQ-UHFFFAOYSA-N
XLogP-0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyloxolan-3-ol?
The IUPAC name of 4-amino-5,5-dimethyloxolan-3-ol (CID 134891641) is 4-amino-5,5-dimethyloxolan-3-ol.
What is the SMILES notation for 4-amino-5,5-dimethyloxolan-3-ol?
The canonical SMILES for 4-amino-5,5-dimethyloxolan-3-ol is CC1(C)OCC(O)C1N.
What is the InChIKey of 4-amino-5,5-dimethyloxolan-3-ol?
The InChIKey is HGOWPJHMLDMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)5(7)4(8)3-9-6/h4-5,8H,3,7H2,1-2H3.
What are the key properties of 4-amino-5,5-dimethyloxolan-3-ol?
4-amino-5,5-dimethyloxolan-3-ol has a molecular weight of 131.17 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyloxolan-3-ol is sourced from PubChem (CID 134891641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).