potassium N-(carboxymethyl)nonanimidate

C11H20KNO3 — CID 101144213

IUPACpotassium N-(carboxymethyl)nonanimidate
SMILESCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C11H21NO3.K/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15;/h2-9H2,1H3,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyWPKTYQFYNFOZPT-UHFFFAOYSA-M
MW253.38 g/mol
LogP-1.42
Rot. Bonds9

About potassium N-(carboxymethyl)nonanimidate

potassium N-(carboxymethyl)nonanimidate (PubChem CID 101144213) has the molecular formula C11H20KNO3 and a molecular weight of 253.38 g/mol. Its IUPAC name is potassium N-(carboxymethyl)nonanimidate.

Molecular Properties

Compound Namepotassium N-(carboxymethyl)nonanimidate
PubChem CID101144213
Molecular FormulaC11H20KNO3
Molecular Weight253.38 g/mol
Exact Mass253.11
IUPAC Namepotassium N-(carboxymethyl)nonanimidate
SMILESCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C11H21NO3.K/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15;/h2-9H2,1H3,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyWPKTYQFYNFOZPT-UHFFFAOYSA-M
XLogP-1.42
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze potassium N-(carboxymethyl)nonanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium N-(carboxymethyl)nonanimidate?
The IUPAC name of potassium N-(carboxymethyl)nonanimidate (CID 101144213) is potassium N-(carboxymethyl)nonanimidate.
What is the SMILES notation for potassium N-(carboxymethyl)nonanimidate?
The canonical SMILES for potassium N-(carboxymethyl)nonanimidate is CCCCCCCC/C([O-])=N/CC(=O)O.[K+].
What is the InChIKey of potassium N-(carboxymethyl)nonanimidate?
The InChIKey is WPKTYQFYNFOZPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO3.K/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15;/h2-9H2,1H3,(H,12,13)(H,14,15);/q;+1/p-1.
What are the key properties of potassium N-(carboxymethyl)nonanimidate?
potassium N-(carboxymethyl)nonanimidate has a molecular weight of 253.38 g/mol, XLogP of -1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(carboxymethyl)nonanimidate is sourced from PubChem (CID 101144213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).