3-amino-2-aminooxypropan-1-ol

C3H10N2O2 — CID 163580799

IUPAC3-amino-2-aminooxypropan-1-ol
SMILESNCC(CO)ON
InChIInChI=1S/C3H10N2O2/c4-1-3(2-6)7-5/h3,6H,1-2,4-5H2
InChIKeyGHJHRRDULCMJID-UHFFFAOYSA-N
MW106.12 g/mol
LogP-1.80
Rot. Bonds3

About 3-amino-2-aminooxypropan-1-ol

3-amino-2-aminooxypropan-1-ol (PubChem CID 163580799) has the molecular formula C3H10N2O2 and a molecular weight of 106.12 g/mol. Its IUPAC name is 3-amino-2-aminooxypropan-1-ol.

Molecular Properties

Compound Name3-amino-2-aminooxypropan-1-ol
PubChem CID163580799
Molecular FormulaC3H10N2O2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Name3-amino-2-aminooxypropan-1-ol
SMILESNCC(CO)ON
InChIInChI=1S/C3H10N2O2/c4-1-3(2-6)7-5/h3,6H,1-2,4-5H2
InChIKeyGHJHRRDULCMJID-UHFFFAOYSA-N
XLogP-1.80
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-aminooxypropan-1-ol 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

2,3-diaminooxypropan-1-ol
CID 57423862
(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
CID 54128951
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
2-(2-hydroxyethoxy)propane-1,3-diol
CID 19067848
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
O-[1,3-bis(aminomethoxy)propan-2-yl]hydroxylamine
CID 162162897
2-(aminomethyl)-3-(hydroxymethyl)butane-1,4-diol
CID 87149692
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
CID 107220567
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
2-trihydroxysilyloxypropane-1,3-diol
CID 19856836

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-aminooxypropan-1-ol?
The IUPAC name of 3-amino-2-aminooxypropan-1-ol (CID 163580799) is 3-amino-2-aminooxypropan-1-ol.
What is the SMILES notation for 3-amino-2-aminooxypropan-1-ol?
The canonical SMILES for 3-amino-2-aminooxypropan-1-ol is NCC(CO)ON.
What is the InChIKey of 3-amino-2-aminooxypropan-1-ol?
The InChIKey is GHJHRRDULCMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2/c4-1-3(2-6)7-5/h3,6H,1-2,4-5H2.
What are the key properties of 3-amino-2-aminooxypropan-1-ol?
3-amino-2-aminooxypropan-1-ol has a molecular weight of 106.12 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-aminooxypropan-1-ol is sourced from PubChem (CID 163580799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).