potassium 3-(didecylamino)propanoate

C23H46KNO2 — CID 101313684

IUPACpotassium 3-(didecylamino)propanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCC(=O)[O-].[K+]
InChIInChI=1S/C23H47NO2.K/c1-3-5-7-9-11-13-15-17-20-24(22-19-23(25)26)21-18-16-14-12-10-8-6-4-2;/h3-22H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyLZYYSWQSTNUVFH-UHFFFAOYSA-M
MW407.72 g/mol
LogP2.71
Rot. Bonds21

About potassium 3-(didecylamino)propanoate

potassium 3-(didecylamino)propanoate (PubChem CID 101313684) has the molecular formula C23H46KNO2 and a molecular weight of 407.72 g/mol. Its IUPAC name is potassium 3-(didecylamino)propanoate.

Molecular Properties

Compound Namepotassium 3-(didecylamino)propanoate
PubChem CID101313684
Molecular FormulaC23H46KNO2
Molecular Weight407.72 g/mol
Exact Mass407.32
IUPAC Namepotassium 3-(didecylamino)propanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCC(=O)[O-].[K+]
InChIInChI=1S/C23H47NO2.K/c1-3-5-7-9-11-13-15-17-20-24(22-19-23(25)26)21-18-16-14-12-10-8-6-4-2;/h3-22H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyLZYYSWQSTNUVFH-UHFFFAOYSA-M
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.72
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-[di(tridecyl)amino]propanoate
CID 101313710
lithium 3-[di(tetracosyl)amino]propanoate
CID 101313807
sodium 3-[2-carboxylatoethyl(tetradecyl)amino]propanoate
CID 91864467
bis(3-(dioctylamino)propanoate);nickel(2+)
CID 88802557
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
potassium 4-(dihexadecylamino)butanoate
CID 101313936
potassium 6-[di(tricosyl)amino]hexanoate
CID 101314750
potassium 4-[di(undecyl)amino]butanoate
CID 101313863
calcium bis(9-(dioctylamino)nonanoate)
CID 101313608
lithium 6-[di(nonadecyl)amino]hexanoate
CID 101314649
calcium bis(5-[di(henicosyl)amino]pentanoate)
CID 101314318
sodium 4-(dioctylamino)butanoate
CID 101313458

Frequently Asked Questions

What is the IUPAC name of potassium 3-(didecylamino)propanoate?
The IUPAC name of potassium 3-(didecylamino)propanoate (CID 101313684) is potassium 3-(didecylamino)propanoate.
What is the SMILES notation for potassium 3-(didecylamino)propanoate?
The canonical SMILES for potassium 3-(didecylamino)propanoate is CCCCCCCCCCN(CCCCCCCCCC)CCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-(didecylamino)propanoate?
The InChIKey is LZYYSWQSTNUVFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H47NO2.K/c1-3-5-7-9-11-13-15-17-20-24(22-19-23(25)26)21-18-16-14-12-10-8-6-4-2;/h3-22H2,1-2H3,(H,25,26);/q;+1/p-1.
What are the key properties of potassium 3-(didecylamino)propanoate?
potassium 3-(didecylamino)propanoate has a molecular weight of 407.72 g/mol, XLogP of 2.71, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(didecylamino)propanoate is sourced from PubChem (CID 101313684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).