3-imino-5-methylnonanoic acid

C10H19NO2 — CID 90721315

IUPAC3-imino-5-methylnonanoic acid
SMILES[H]/N=C(\CC(=O)O)CC(C)CCCC
InChIInChI=1S/C10H19NO2/c1-3-4-5-8(2)6-9(11)7-10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/b11-9-
InChIKeyGDZOIOKATUKJEI-LUAWRHEFSA-N
MW185.27 g/mol
LogP2.70
Rot. Bonds7

About 3-imino-5-methylnonanoic acid

3-imino-5-methylnonanoic acid (PubChem CID 90721315) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-imino-5-methylnonanoic acid.

Molecular Properties

Compound Name3-imino-5-methylnonanoic acid
PubChem CID90721315
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-imino-5-methylnonanoic acid
SMILES[H]/N=C(\CC(=O)O)CC(C)CCCC
InChIInChI=1S/C10H19NO2/c1-3-4-5-8(2)6-9(11)7-10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/b11-9-
InChIKeyGDZOIOKATUKJEI-LUAWRHEFSA-N
XLogP2.70
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-5-methylnonanoic acid?
The IUPAC name of 3-imino-5-methylnonanoic acid (CID 90721315) is 3-imino-5-methylnonanoic acid.
What is the SMILES notation for 3-imino-5-methylnonanoic acid?
The canonical SMILES for 3-imino-5-methylnonanoic acid is [H]/N=C(\CC(=O)O)CC(C)CCCC.
What is the InChIKey of 3-imino-5-methylnonanoic acid?
The InChIKey is GDZOIOKATUKJEI-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-8(2)6-9(11)7-10(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)/b11-9-.
What are the key properties of 3-imino-5-methylnonanoic acid?
3-imino-5-methylnonanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-methylnonanoic acid is sourced from PubChem (CID 90721315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).