2-aminooxyheptanoic acid

C7H15NO3 — CID 88524492

IUPAC2-aminooxyheptanoic acid
SMILESCCCCCC(ON)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-4-5-6(11-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyDYNGFNWQUFIISN-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.91
Rot. Bonds6

About 2-aminooxyheptanoic acid

2-aminooxyheptanoic acid (PubChem CID 88524492) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-aminooxyheptanoic acid.

Molecular Properties

Compound Name2-aminooxyheptanoic acid
PubChem CID88524492
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-aminooxyheptanoic acid
SMILESCCCCCC(ON)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-4-5-6(11-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyDYNGFNWQUFIISN-UHFFFAOYSA-N
XLogP0.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-bromooxyheptanoic acid
CID 151321599
2-methoxypentacosanoic acid
CID 10476799
2-ethoxyicosanoic acid
CID 86106777
2-aminooxydodecanehydrazide
CID 19105405
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-decoxydecanoic acid
CID 152638766
2-(2-hydroxyoctanoyloxy)decanoic acid
CID 57111735
2-(2-hydroxyhexadecanoyloxy)hexadecanoic acid
CID 54201364
2-(2-methylbutan-2-ylperoxy)heptanoic acid
CID 87434015

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyheptanoic acid?
The IUPAC name of 2-aminooxyheptanoic acid (CID 88524492) is 2-aminooxyheptanoic acid.
What is the SMILES notation for 2-aminooxyheptanoic acid?
The canonical SMILES for 2-aminooxyheptanoic acid is CCCCCC(ON)C(=O)O.
What is the InChIKey of 2-aminooxyheptanoic acid?
The InChIKey is DYNGFNWQUFIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-4-5-6(11-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10).
What are the key properties of 2-aminooxyheptanoic acid?
2-aminooxyheptanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyheptanoic acid is sourced from PubChem (CID 88524492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).