4-aminobutaneperoxoic acid

C4H9NO3 — CID 10887886

IUPAC4-aminobutaneperoxoic acid
SMILESNCCCC(=O)OO
InChIInChI=1S/C4H9NO3/c5-3-1-2-4(6)8-7/h7H,1-3,5H2
InChIKeyUIIDIWSTMOYJBZ-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.26
Rot. Bonds3

About 4-aminobutaneperoxoic acid

4-aminobutaneperoxoic acid (PubChem CID 10887886) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 4-aminobutaneperoxoic acid.

Molecular Properties

Compound Name4-aminobutaneperoxoic acid
PubChem CID10887886
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name4-aminobutaneperoxoic acid
SMILESNCCCC(=O)OO
InChIInChI=1S/C4H9NO3/c5-3-1-2-4(6)8-7/h7H,1-3,5H2
InChIKeyUIIDIWSTMOYJBZ-UHFFFAOYSA-N
XLogP-0.26
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
alumane;hexanediperoxoic acid
CID 173462864
12-aminododecaneperoxoic acid;sulfooxy hydrogen sulfate
CID 23167372
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
acetyloxymethyl 4-aminobutanoate
CID 143907258
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
9-hydroperoxy-9-oxononanoic acid
CID 54396666
10-hydroperoxydecaneperoxoic acid
CID 173162318
9-aminononanoyl 12-aminododecanoate
CID 88667925

Frequently Asked Questions

What is the IUPAC name of 4-aminobutaneperoxoic acid?
The IUPAC name of 4-aminobutaneperoxoic acid (CID 10887886) is 4-aminobutaneperoxoic acid.
What is the SMILES notation for 4-aminobutaneperoxoic acid?
The canonical SMILES for 4-aminobutaneperoxoic acid is NCCCC(=O)OO.
What is the InChIKey of 4-aminobutaneperoxoic acid?
The InChIKey is UIIDIWSTMOYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-3-1-2-4(6)8-7/h7H,1-3,5H2.
What are the key properties of 4-aminobutaneperoxoic acid?
4-aminobutaneperoxoic acid has a molecular weight of 119.12 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutaneperoxoic acid is sourced from PubChem (CID 10887886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).