2-aminooxybutanehydrazide

C4H11N3O2 — CID 19105384

IUPAC2-aminooxybutanehydrazide
SMILESCCC(ON)C(=O)NN
InChIInChI=1S/C4H11N3O2/c1-2-3(9-6)4(8)7-5/h3H,2,5-6H2,1H3,(H,7,8)
InChIKeyOUWGJLDLEGQVHB-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.35
Rot. Bonds3

About 2-aminooxybutanehydrazide

2-aminooxybutanehydrazide (PubChem CID 19105384) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-aminooxybutanehydrazide.

Molecular Properties

Compound Name2-aminooxybutanehydrazide
PubChem CID19105384
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name2-aminooxybutanehydrazide
SMILESCCC(ON)C(=O)NN
InChIInChI=1S/C4H11N3O2/c1-2-3(9-6)4(8)7-5/h3H,2,5-6H2,1H3,(H,7,8)
InChIKeyOUWGJLDLEGQVHB-UHFFFAOYSA-N
XLogP-1.35
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)butanehydrazide
CID 63575929
2-aminooxydodecanehydrazide
CID 19105405
2-butan-2-ylpropanedihydrazide
CID 15253260
2-octan-2-yloxybutanehydrazide
CID 63574494
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
CID 64739542
2-sulfanylbutanehydrazide
CID 63590292
2-(4-propylphenoxy)butanehydrazide
CID 63570904
2-(hydrazinecarbonyl)butanamide
CID 119096402
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
2-(oxan-2-ylmethoxy)butanehydrazide
CID 63576275

Frequently Asked Questions

What is the IUPAC name of 2-aminooxybutanehydrazide?
The IUPAC name of 2-aminooxybutanehydrazide (CID 19105384) is 2-aminooxybutanehydrazide.
What is the SMILES notation for 2-aminooxybutanehydrazide?
The canonical SMILES for 2-aminooxybutanehydrazide is CCC(ON)C(=O)NN.
What is the InChIKey of 2-aminooxybutanehydrazide?
The InChIKey is OUWGJLDLEGQVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c1-2-3(9-6)4(8)7-5/h3H,2,5-6H2,1H3,(H,7,8).
What are the key properties of 2-aminooxybutanehydrazide?
2-aminooxybutanehydrazide has a molecular weight of 133.15 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxybutanehydrazide is sourced from PubChem (CID 19105384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).