3-aminopropanoyl 3-aminobutaneperoxoate

C7H14N2O4 — CID 177190479

IUPAC3-aminopropanoyl 3-aminobutaneperoxoate
SMILESCC(N)CC(=O)OOC(=O)CCN
InChIInChI=1S/C7H14N2O4/c1-5(9)4-7(11)13-12-6(10)2-3-8/h5H,2-4,8-9H2,1H3
InChIKeyAKZVFLFBBZYVFI-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.93
Rot. Bonds4

About 3-aminopropanoyl 3-aminobutaneperoxoate

3-aminopropanoyl 3-aminobutaneperoxoate (PubChem CID 177190479) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-aminopropanoyl 3-aminobutaneperoxoate.

Molecular Properties

Compound Name3-aminopropanoyl 3-aminobutaneperoxoate
PubChem CID177190479
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name3-aminopropanoyl 3-aminobutaneperoxoate
SMILESCC(N)CC(=O)OOC(=O)CCN
InChIInChI=1S/C7H14N2O4/c1-5(9)4-7(11)13-12-6(10)2-3-8/h5H,2-4,8-9H2,1H3
InChIKeyAKZVFLFBBZYVFI-UHFFFAOYSA-N
XLogP-0.93
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoyl 3-aminobutaneperoxoate?
The IUPAC name of 3-aminopropanoyl 3-aminobutaneperoxoate (CID 177190479) is 3-aminopropanoyl 3-aminobutaneperoxoate.
What is the SMILES notation for 3-aminopropanoyl 3-aminobutaneperoxoate?
The canonical SMILES for 3-aminopropanoyl 3-aminobutaneperoxoate is CC(N)CC(=O)OOC(=O)CCN.
What is the InChIKey of 3-aminopropanoyl 3-aminobutaneperoxoate?
The InChIKey is AKZVFLFBBZYVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(9)4-7(11)13-12-6(10)2-3-8/h5H,2-4,8-9H2,1H3.
What are the key properties of 3-aminopropanoyl 3-aminobutaneperoxoate?
3-aminopropanoyl 3-aminobutaneperoxoate has a molecular weight of 190.20 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoyl 3-aminobutaneperoxoate is sourced from PubChem (CID 177190479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).