2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol

C14H21NO5 — CID 3095708

IUPAC2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol
SMILESCc1ccc(NC2OC(C(O)CO)C(O)C2O)cc1C
InChIInChI=1S/C14H21NO5/c1-7-3-4-9(5-8(7)2)15-14-12(19)11(18)13(20-14)10(17)6-16/h3-5,10-19H,6H2,1-2H3
InChIKeySEEZOICHMBBSPP-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.48
Rot. Bonds4

About 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol

2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol (PubChem CID 3095708) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol
PubChem CID3095708
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol
SMILESCc1ccc(NC2OC(C(O)CO)C(O)C2O)cc1C
InChIInChI=1S/C14H21NO5/c1-7-3-4-9(5-8(7)2)15-14-12(19)11(18)13(20-14)10(17)6-16/h3-5,10-19H,6H2,1-2H3
InChIKeySEEZOICHMBBSPP-UHFFFAOYSA-N
XLogP-0.48
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol?
The IUPAC name of 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol (CID 3095708) is 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol is Cc1ccc(NC2OC(C(O)CO)C(O)C2O)cc1C.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol?
The InChIKey is SEEZOICHMBBSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-7-3-4-9(5-8(7)2)15-14-12(19)11(18)13(20-14)10(17)6-16/h3-5,10-19H,6H2,1-2H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol?
2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol has a molecular weight of 283.32 g/mol, XLogP of -0.48, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-5-(3,4-dimethylanilino)oxolane-3,4-diol is sourced from PubChem (CID 3095708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).