sodium 3-(dodecylamino)propanoate

C15H30NNaO2 — CID 23678869

IUPACsodium 3-(dodecylamino)propanoate
SMILESCCCCCCCCCCCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C15H31NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyHWCHICTXVOMIIF-UHFFFAOYSA-M
MW279.40 g/mol
LogP-0.36
Rot. Bonds14

About sodium 3-(dodecylamino)propanoate

sodium 3-(dodecylamino)propanoate (PubChem CID 23678869) has the molecular formula C15H30NNaO2 and a molecular weight of 279.40 g/mol. Its IUPAC name is sodium 3-(dodecylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(dodecylamino)propanoate
PubChem CID23678869
Molecular FormulaC15H30NNaO2
Molecular Weight279.40 g/mol
Exact Mass279.22
IUPAC Namesodium 3-(dodecylamino)propanoate
SMILESCCCCCCCCCCCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C15H31NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyHWCHICTXVOMIIF-UHFFFAOYSA-M
XLogP-0.36
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(dodecylamino)propanoate?
The IUPAC name of sodium 3-(dodecylamino)propanoate (CID 23678869) is sodium 3-(dodecylamino)propanoate.
What is the SMILES notation for sodium 3-(dodecylamino)propanoate?
The canonical SMILES for sodium 3-(dodecylamino)propanoate is CCCCCCCCCCCCNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(dodecylamino)propanoate?
The InChIKey is HWCHICTXVOMIIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 3-(dodecylamino)propanoate?
sodium 3-(dodecylamino)propanoate has a molecular weight of 279.40 g/mol, XLogP of -0.36, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(dodecylamino)propanoate is sourced from PubChem (CID 23678869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).