8-amino-7-oxononanoic acid

C9H17NO3 — CID 173

IUPAC8-amino-7-oxononanoic acid
SMILESCC(N)C(=O)CCCCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
InChIKeyGUAHPAJOXVYFON-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.94
Rot. Bonds7

About 8-amino-7-oxononanoic acid

8-amino-7-oxononanoic acid (PubChem CID 173) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 8-amino-7-oxononanoic acid.

Molecular Properties

Compound Name8-amino-7-oxononanoic acid
PubChem CID173
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name8-amino-7-oxononanoic acid
SMILESCC(N)C(=O)CCCCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
InChIKeyGUAHPAJOXVYFON-UHFFFAOYSA-N
XLogP0.94
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-oxononanoic acid?
The IUPAC name of 8-amino-7-oxononanoic acid (CID 173) is 8-amino-7-oxononanoic acid.
What is the SMILES notation for 8-amino-7-oxononanoic acid?
The canonical SMILES for 8-amino-7-oxononanoic acid is CC(N)C(=O)CCCCCC(=O)O.
What is the InChIKey of 8-amino-7-oxononanoic acid?
The InChIKey is GUAHPAJOXVYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 8-amino-7-oxononanoic acid?
8-amino-7-oxononanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-oxononanoic acid is sourced from PubChem (CID 173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).