sodium 3-(tetradecylamino)propanoate

C17H34NNaO2 — CID 23670837

IUPACsodium 3-(tetradecylamino)propanoate
SMILESCCCCCCCCCCCCCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyQCSYDNSOSLJXCQ-UHFFFAOYSA-M
MW307.45 g/mol
LogP0.42
Rot. Bonds16

About sodium 3-(tetradecylamino)propanoate

sodium 3-(tetradecylamino)propanoate (PubChem CID 23670837) has the molecular formula C17H34NNaO2 and a molecular weight of 307.45 g/mol. Its IUPAC name is sodium 3-(tetradecylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(tetradecylamino)propanoate
PubChem CID23670837
Molecular FormulaC17H34NNaO2
Molecular Weight307.45 g/mol
Exact Mass307.25
IUPAC Namesodium 3-(tetradecylamino)propanoate
SMILESCCCCCCCCCCCCCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyQCSYDNSOSLJXCQ-UHFFFAOYSA-M
XLogP0.42
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 50.42
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-(tetradecylamino)propanoate?
The IUPAC name of sodium 3-(tetradecylamino)propanoate (CID 23670837) is sodium 3-(tetradecylamino)propanoate.
What is the SMILES notation for sodium 3-(tetradecylamino)propanoate?
The canonical SMILES for sodium 3-(tetradecylamino)propanoate is CCCCCCCCCCCCCCNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(tetradecylamino)propanoate?
The InChIKey is QCSYDNSOSLJXCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 3-(tetradecylamino)propanoate?
sodium 3-(tetradecylamino)propanoate has a molecular weight of 307.45 g/mol, XLogP of 0.42, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(tetradecylamino)propanoate is sourced from PubChem (CID 23670837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).