(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane

C5H14N2O7 — CID 88965568

IUPAC(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
SMILESCCOC[C@H](CON(O)O)ON(O)O
InChIInChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3/t5-/m1/s1
InChIKeyJFONFILKRKTYCJ-RXMQYKEDSA-N
MW214.17 g/mol
LogP-0.58
Rot. Bonds8

About (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane

(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane (PubChem CID 88965568) has the molecular formula C5H14N2O7 and a molecular weight of 214.17 g/mol. Its IUPAC name is (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane.

Molecular Properties

Compound Name(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
PubChem CID88965568
Molecular FormulaC5H14N2O7
Molecular Weight214.17 g/mol
Exact Mass214.08
IUPAC Name(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
SMILESCCOC[C@H](CON(O)O)ON(O)O
InChIInChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3/t5-/m1/s1
InChIKeyJFONFILKRKTYCJ-RXMQYKEDSA-N
XLogP-0.58
TPSA115.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The IUPAC name of (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane (CID 88965568) is (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane.
What is the SMILES notation for (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The canonical SMILES for (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane is CCOC[C@H](CON(O)O)ON(O)O.
What is the InChIKey of (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The InChIKey is JFONFILKRKTYCJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane has a molecular weight of 214.17 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane is sourced from PubChem (CID 88965568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).