potassium N-(carboxymethyl)decanimidate

C12H22KNO3 — CID 101144214

IUPACpotassium N-(carboxymethyl)decanimidate
SMILESCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C12H23NO3.K/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyXZXRPSYJIVNZRA-UHFFFAOYSA-M
MW267.41 g/mol
LogP-1.03
Rot. Bonds10

About potassium N-(carboxymethyl)decanimidate

potassium N-(carboxymethyl)decanimidate (PubChem CID 101144214) has the molecular formula C12H22KNO3 and a molecular weight of 267.41 g/mol. Its IUPAC name is potassium N-(carboxymethyl)decanimidate.

Molecular Properties

Compound Namepotassium N-(carboxymethyl)decanimidate
PubChem CID101144214
Molecular FormulaC12H22KNO3
Molecular Weight267.41 g/mol
Exact Mass267.12
IUPAC Namepotassium N-(carboxymethyl)decanimidate
SMILESCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C12H23NO3.K/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyXZXRPSYJIVNZRA-UHFFFAOYSA-M
XLogP-1.03
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 5-1.03
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'}

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Related Compounds

sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate
CID 102228653
potassium;ethanolate;octadecanoic acid
CID 139410611
calcium;nonadecanoic acid;carbonate
CID 174780651
potassium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate
CID 101286098
potassium pentadecanoate
CID 23696764
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
potassium heptanoate
CID 23681741
potassium;barium(2+);hexadecanoic acid;octadecanoic acid
CID 175848014
octapotassium;octakis(decanoate)
CID 23617120
potassium N-(2-sulfoethyl)tetracosanimidate
CID 101283150

Frequently Asked Questions

What is the IUPAC name of potassium N-(carboxymethyl)decanimidate?
The IUPAC name of potassium N-(carboxymethyl)decanimidate (CID 101144214) is potassium N-(carboxymethyl)decanimidate.
What is the SMILES notation for potassium N-(carboxymethyl)decanimidate?
The canonical SMILES for potassium N-(carboxymethyl)decanimidate is CCCCCCCCC/C([O-])=N/CC(=O)O.[K+].
What is the InChIKey of potassium N-(carboxymethyl)decanimidate?
The InChIKey is XZXRPSYJIVNZRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NO3.K/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of potassium N-(carboxymethyl)decanimidate?
potassium N-(carboxymethyl)decanimidate has a molecular weight of 267.41 g/mol, XLogP of -1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(carboxymethyl)decanimidate is sourced from PubChem (CID 101144214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).