2,3-diaminooxypropan-1-ol

C3H10N2O3 — CID 57423862

IUPAC2,3-diaminooxypropan-1-ol
SMILESNOCC(CO)ON
InChIInChI=1S/C3H10N2O3/c4-7-2-3(1-6)8-5/h3,6H,1-2,4-5H2
InChIKeyJMCONPCMAIDWHR-UHFFFAOYSA-N
MW122.12 g/mol
LogP-1.87
Rot. Bonds4

About 2,3-diaminooxypropan-1-ol

2,3-diaminooxypropan-1-ol (PubChem CID 57423862) has the molecular formula C3H10N2O3 and a molecular weight of 122.12 g/mol. Its IUPAC name is 2,3-diaminooxypropan-1-ol.

Molecular Properties

Compound Name2,3-diaminooxypropan-1-ol
PubChem CID57423862
Molecular FormulaC3H10N2O3
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name2,3-diaminooxypropan-1-ol
SMILESNOCC(CO)ON
InChIInChI=1S/C3H10N2O3/c4-7-2-3(1-6)8-5/h3,6H,1-2,4-5H2
InChIKeyJMCONPCMAIDWHR-UHFFFAOYSA-N
XLogP-1.87
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-aminooxypropan-1-ol
CID 163580799
O-(1-aminooxy-3-ethoxypropan-2-yl)hydroxylamine
CID 87320683
1-[1-[(1-aminooxy-3-hydroxypropan-2-yl)oxymethoxy]-3-hydroxypropan-2-yl]oxyethane-1,2-diol
CID 90005594
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol
CID 89395567
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
2-aminooxy-1-cyclopropylethanol
CID 22286083
O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine
CID 162162897
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
CID 134863100
2-trihydroxysilyloxypropane-1,3-diol
CID 19856836
sodium 1,3-dihydroxypropan-2-yl phosphate
CID 19940238

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminooxypropan-1-ol?
The IUPAC name of 2,3-diaminooxypropan-1-ol (CID 57423862) is 2,3-diaminooxypropan-1-ol.
What is the SMILES notation for 2,3-diaminooxypropan-1-ol?
The canonical SMILES for 2,3-diaminooxypropan-1-ol is NOCC(CO)ON.
What is the InChIKey of 2,3-diaminooxypropan-1-ol?
The InChIKey is JMCONPCMAIDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3/c4-7-2-3(1-6)8-5/h3,6H,1-2,4-5H2.
What are the key properties of 2,3-diaminooxypropan-1-ol?
2,3-diaminooxypropan-1-ol has a molecular weight of 122.12 g/mol, XLogP of -1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminooxypropan-1-ol is sourced from PubChem (CID 57423862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).