3-(dihydroxyamino)oxypropan-1-amine

C3H10N2O3 — CID 88939530

IUPAC3-(dihydroxyamino)oxypropan-1-amine
SMILESNCCCON(O)O
InChIInChI=1S/C3H10N2O3/c4-2-1-3-8-5(6)7/h6-7H,1-4H2
InChIKeySSYJQOCGJFONJW-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.65
Rot. Bonds4

About 3-(dihydroxyamino)oxypropan-1-amine

3-(dihydroxyamino)oxypropan-1-amine (PubChem CID 88939530) has the molecular formula C3H10N2O3 and a molecular weight of 122.12 g/mol. Its IUPAC name is 3-(dihydroxyamino)oxypropan-1-amine.

Molecular Properties

Compound Name3-(dihydroxyamino)oxypropan-1-amine
PubChem CID88939530
Molecular FormulaC3H10N2O3
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name3-(dihydroxyamino)oxypropan-1-amine
SMILESNCCCON(O)O
InChIInChI=1S/C3H10N2O3/c4-2-1-3-8-5(6)7/h6-7H,1-4H2
InChIKeySSYJQOCGJFONJW-UHFFFAOYSA-N
XLogP-0.65
TPSA78.95 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 ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxyamino)oxypropan-1-amine?
The IUPAC name of 3-(dihydroxyamino)oxypropan-1-amine (CID 88939530) is 3-(dihydroxyamino)oxypropan-1-amine.
What is the SMILES notation for 3-(dihydroxyamino)oxypropan-1-amine?
The canonical SMILES for 3-(dihydroxyamino)oxypropan-1-amine is NCCCON(O)O.
What is the InChIKey of 3-(dihydroxyamino)oxypropan-1-amine?
The InChIKey is SSYJQOCGJFONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3/c4-2-1-3-8-5(6)7/h6-7H,1-4H2.
What are the key properties of 3-(dihydroxyamino)oxypropan-1-amine?
3-(dihydroxyamino)oxypropan-1-amine has a molecular weight of 122.12 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxyamino)oxypropan-1-amine is sourced from PubChem (CID 88939530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).