2-(2-aminoethoxy)oxolane-3,4-diol

C6H13NO4 — CID 142369560

IUPAC2-(2-aminoethoxy)oxolane-3,4-diol
SMILESNCCOC1OCC(O)C1O
InChIInChI=1S/C6H13NO4/c7-1-2-10-6-5(9)4(8)3-11-6/h4-6,8-9H,1-3,7H2
InChIKeyNWYVBDWXNHZBKU-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.96
Rot. Bonds3

About 2-(2-aminoethoxy)oxolane-3,4-diol

2-(2-aminoethoxy)oxolane-3,4-diol (PubChem CID 142369560) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2-aminoethoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-aminoethoxy)oxolane-3,4-diol
PubChem CID142369560
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(2-aminoethoxy)oxolane-3,4-diol
SMILESNCCOC1OCC(O)C1O
InChIInChI=1S/C6H13NO4/c7-1-2-10-6-5(9)4(8)3-11-6/h4-6,8-9H,1-3,7H2
InChIKeyNWYVBDWXNHZBKU-UHFFFAOYSA-N
XLogP-1.96
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethoxy)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
2-(2-aminoethoxy)-5-fluorooxane-3,4-diol
CID 145030712
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol
CID 10799040

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)oxolane-3,4-diol?
The IUPAC name of 2-(2-aminoethoxy)oxolane-3,4-diol (CID 142369560) is 2-(2-aminoethoxy)oxolane-3,4-diol.
What is the SMILES notation for 2-(2-aminoethoxy)oxolane-3,4-diol?
The canonical SMILES for 2-(2-aminoethoxy)oxolane-3,4-diol is NCCOC1OCC(O)C1O.
What is the InChIKey of 2-(2-aminoethoxy)oxolane-3,4-diol?
The InChIKey is NWYVBDWXNHZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c7-1-2-10-6-5(9)4(8)3-11-6/h4-6,8-9H,1-3,7H2.
What are the key properties of 2-(2-aminoethoxy)oxolane-3,4-diol?
2-(2-aminoethoxy)oxolane-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)oxolane-3,4-diol is sourced from PubChem (CID 142369560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).