3-(2-aminoperoxyethoxy)propanoic acid

C5H11NO5 — CID 174249816

IUPAC3-(2-aminoperoxyethoxy)propanoic acid
SMILESNOOCCOCCC(=O)O
InChIInChI=1S/C5H11NO5/c6-11-10-4-3-9-2-1-5(7)8/h1-4,6H2,(H,7,8)
InChIKeyOLBFAAMCIORJHF-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.70
Rot. Bonds7

About 3-(2-aminoperoxyethoxy)propanoic acid

3-(2-aminoperoxyethoxy)propanoic acid (PubChem CID 174249816) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3-(2-aminoperoxyethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-aminoperoxyethoxy)propanoic acid
PubChem CID174249816
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3-(2-aminoperoxyethoxy)propanoic acid
SMILESNOOCCOCCC(=O)O
InChIInChI=1S/C5H11NO5/c6-11-10-4-3-9-2-1-5(7)8/h1-4,6H2,(H,7,8)
InChIKeyOLBFAAMCIORJHF-UHFFFAOYSA-N
XLogP-0.70
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
CID 122463166
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
3-[2-(2-iodoethoxy)ethoxy]propanoic acid
CID 137354402
CID 172913435
CID 172913435

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoperoxyethoxy)propanoic acid?
The IUPAC name of 3-(2-aminoperoxyethoxy)propanoic acid (CID 174249816) is 3-(2-aminoperoxyethoxy)propanoic acid.
What is the SMILES notation for 3-(2-aminoperoxyethoxy)propanoic acid?
The canonical SMILES for 3-(2-aminoperoxyethoxy)propanoic acid is NOOCCOCCC(=O)O.
What is the InChIKey of 3-(2-aminoperoxyethoxy)propanoic acid?
The InChIKey is OLBFAAMCIORJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5/c6-11-10-4-3-9-2-1-5(7)8/h1-4,6H2,(H,7,8).
What are the key properties of 3-(2-aminoperoxyethoxy)propanoic acid?
3-(2-aminoperoxyethoxy)propanoic acid has a molecular weight of 165.14 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoperoxyethoxy)propanoic acid is sourced from PubChem (CID 174249816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).