N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine

C4H12N2O3 — CID 54495629

IUPACN-[1-(dihydroxyamino)butan-2-yl]hydroxylamine
SMILESCCC(CN(O)O)NO
InChIInChI=1S/C4H12N2O3/c1-2-4(5-7)3-6(8)9/h4-5,7-9H,2-3H2,1H3
InChIKeyXYWHQJWSFRUUPL-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.18
Rot. Bonds4

About N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine

N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine (PubChem CID 54495629) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(dihydroxyamino)butan-2-yl]hydroxylamine
PubChem CID54495629
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC NameN-[1-(dihydroxyamino)butan-2-yl]hydroxylamine
SMILESCCC(CN(O)O)NO
InChIInChI=1S/C4H12N2O3/c1-2-4(5-7)3-6(8)9/h4-5,7-9H,2-3H2,1H3
InChIKeyXYWHQJWSFRUUPL-UHFFFAOYSA-N
XLogP-0.18
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine?
The IUPAC name of N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine (CID 54495629) is N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine.
What is the SMILES notation for N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine?
The canonical SMILES for N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine is CCC(CN(O)O)NO.
What is the InChIKey of N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine?
The InChIKey is XYWHQJWSFRUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c1-2-4(5-7)3-6(8)9/h4-5,7-9H,2-3H2,1H3.
What are the key properties of N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine?
N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine has a molecular weight of 136.15 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dihydroxyamino)butan-2-yl]hydroxylamine is sourced from PubChem (CID 54495629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).