sodium 2-(didecylamino)propanoate

C23H46NNaO2 — CID 101313681

IUPACsodium 2-(didecylamino)propanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C23H47NO2.Na/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1
InChIKeyIRHHPLOVDKTOCJ-UHFFFAOYSA-M
MW391.62 g/mol
LogP2.71
Rot. Bonds20

About sodium 2-(didecylamino)propanoate

sodium 2-(didecylamino)propanoate (PubChem CID 101313681) has the molecular formula C23H46NNaO2 and a molecular weight of 391.62 g/mol. Its IUPAC name is sodium 2-(didecylamino)propanoate.

Molecular Properties

Compound Namesodium 2-(didecylamino)propanoate
PubChem CID101313681
Molecular FormulaC23H46NNaO2
Molecular Weight391.62 g/mol
Exact Mass391.34
IUPAC Namesodium 2-(didecylamino)propanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C23H47NO2.Na/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1
InChIKeyIRHHPLOVDKTOCJ-UHFFFAOYSA-M
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium 2-(didecylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

sodium 2-[di(icosyl)amino]propanoate
CID 101313774
sodium 2-[di(undecyl)amino]propanoate
CID 101313689
sodium 2-(dioctadecylamino)propanoate
CID 101313754
calcium bis(2-(didecylamino)propanoate)
CID 101313682
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
sodium 3-(dioctylamino)butanoate
CID 101313453
sodium 2-[di(nonyl)amino]butanoate
CID 101313824
sodium 3-[di(pentadecyl)amino]butanoate
CID 101313917
sodium 2-[bis(oct-7-enyl)amino]propanoate
CID 101313401
sodium 2-(didecylamino)heptanoate
CID 101314811
sodium 2-[di(tetradecyl)amino]hexanoate
CID 101314506

Frequently Asked Questions

What is the IUPAC name of sodium 2-(didecylamino)propanoate?
The IUPAC name of sodium 2-(didecylamino)propanoate (CID 101313681) is sodium 2-(didecylamino)propanoate.
What is the SMILES notation for sodium 2-(didecylamino)propanoate?
The canonical SMILES for sodium 2-(didecylamino)propanoate is CCCCCCCCCCN(CCCCCCCCCC)C(C)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(didecylamino)propanoate?
The InChIKey is IRHHPLOVDKTOCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H47NO2.Na/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1.
What are the key properties of sodium 2-(didecylamino)propanoate?
sodium 2-(didecylamino)propanoate has a molecular weight of 391.62 g/mol, XLogP of 2.71, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(didecylamino)propanoate is sourced from PubChem (CID 101313681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).