4-(dimethylamino)oxane-2,3-diol

C7H15NO3 — CID 130125809

IUPAC4-(dimethylamino)oxane-2,3-diol
SMILESCN(C)C1CCOC(O)C1O
InChIInChI=1S/C7H15NO3/c1-8(2)5-3-4-11-7(10)6(5)9/h5-7,9-10H,3-4H2,1-2H3
InChIKeyUGNCKMNOQZJBMB-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.98
Rot. Bonds1

About 4-(dimethylamino)oxane-2,3-diol

4-(dimethylamino)oxane-2,3-diol (PubChem CID 130125809) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(dimethylamino)oxane-2,3-diol.

Molecular Properties

Compound Name4-(dimethylamino)oxane-2,3-diol
PubChem CID130125809
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-(dimethylamino)oxane-2,3-diol
SMILESCN(C)C1CCOC(O)C1O
InChIInChI=1S/C7H15NO3/c1-8(2)5-3-4-11-7(10)6(5)9/h5-7,9-10H,3-4H2,1-2H3
InChIKeyUGNCKMNOQZJBMB-UHFFFAOYSA-N
XLogP-0.98
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)oxane-2,3-diol?
The IUPAC name of 4-(dimethylamino)oxane-2,3-diol (CID 130125809) is 4-(dimethylamino)oxane-2,3-diol.
What is the SMILES notation for 4-(dimethylamino)oxane-2,3-diol?
The canonical SMILES for 4-(dimethylamino)oxane-2,3-diol is CN(C)C1CCOC(O)C1O.
What is the InChIKey of 4-(dimethylamino)oxane-2,3-diol?
The InChIKey is UGNCKMNOQZJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2)5-3-4-11-7(10)6(5)9/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 4-(dimethylamino)oxane-2,3-diol?
4-(dimethylamino)oxane-2,3-diol has a molecular weight of 161.20 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)oxane-2,3-diol is sourced from PubChem (CID 130125809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).