9-amino-2-methylidenenonanoic acid

C10H19NO2 — CID 22381247

IUPAC9-amino-2-methylidenenonanoic acid
SMILESC=C(CCCCCCCN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)7-5-3-2-4-6-8-11/h1-8,11H2,(H,12,13)
InChIKeyULRJOWZYEUJFMS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.93
Rot. Bonds8

About 9-amino-2-methylidenenonanoic acid

9-amino-2-methylidenenonanoic acid (PubChem CID 22381247) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 9-amino-2-methylidenenonanoic acid.

Molecular Properties

Compound Name9-amino-2-methylidenenonanoic acid
PubChem CID22381247
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name9-amino-2-methylidenenonanoic acid
SMILESC=C(CCCCCCCN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)7-5-3-2-4-6-8-11/h1-8,11H2,(H,12,13)
InChIKeyULRJOWZYEUJFMS-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-methylidenenonanoic acid?
The IUPAC name of 9-amino-2-methylidenenonanoic acid (CID 22381247) is 9-amino-2-methylidenenonanoic acid.
What is the SMILES notation for 9-amino-2-methylidenenonanoic acid?
The canonical SMILES for 9-amino-2-methylidenenonanoic acid is C=C(CCCCCCCN)C(=O)O.
What is the InChIKey of 9-amino-2-methylidenenonanoic acid?
The InChIKey is ULRJOWZYEUJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(10(12)13)7-5-3-2-4-6-8-11/h1-8,11H2,(H,12,13).
What are the key properties of 9-amino-2-methylidenenonanoic acid?
9-amino-2-methylidenenonanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-methylidenenonanoic acid is sourced from PubChem (CID 22381247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).