1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol

C6H16N2O4 — CID 142384042

IUPAC1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol
SMILESNCC(O)COCC(O)CON
InChIInChI=1S/C6H16N2O4/c7-1-5(9)2-11-3-6(10)4-12-8/h5-6,9-10H,1-4,7-8H2
InChIKeyBTEQJMUAOSXBBN-UHFFFAOYSA-N
MW180.20 g/mol
LogP-2.43
Rot. Bonds7

About 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol

1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol (PubChem CID 142384042) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol
PubChem CID142384042
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol
SMILESNCC(O)COCC(O)CON
InChIInChI=1S/C6H16N2O4/c7-1-5(9)2-11-3-6(10)4-12-8/h5-6,9-10H,1-4,7-8H2
InChIKeyBTEQJMUAOSXBBN-UHFFFAOYSA-N
XLogP-2.43
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
(3-amino-2-hydroxypropyl) hypochlorite
CID 129235335
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
1-amino-3-(3-tritiopropoxy)propan-2-ol
CID 155793573
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
1-amino-3-heptoxypropan-2-ol
CID 43128013
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537
(3-amino-2-hydroxypropyl) carbamate
CID 87536011

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol (CID 142384042) is 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol is NCC(O)COCC(O)CON.
What is the InChIKey of 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol?
The InChIKey is BTEQJMUAOSXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4/c7-1-5(9)2-11-3-6(10)4-12-8/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol?
1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol has a molecular weight of 180.20 g/mol, XLogP of -2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 142384042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).