sodium 2-[bis[(E)-undec-5-enyl]amino]acetate

C24H44NNaO2 — CID 101275676

IUPACsodium 2-[bis[(E)-undec-5-enyl]amino]acetate
SMILESCCCCC/C=C/CCCCN(CCCC/C=C/CCCCC)CC(=O)[O-].[Na+]
InChIInChI=1S/C24H45NO2.Na/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h11-14H,3-10,15-23H2,1-2H3,(H,26,27);/q;+1/p-1/b13-11+,14-12+;
InChIKeySUQIMLAPTPVWHY-JZOPPWQGSA-M
MW401.61 g/mol
LogP2.66
Rot. Bonds20

About sodium 2-[bis[(E)-undec-5-enyl]amino]acetate

sodium 2-[bis[(E)-undec-5-enyl]amino]acetate (PubChem CID 101275676) has the molecular formula C24H44NNaO2 and a molecular weight of 401.61 g/mol. Its IUPAC name is sodium 2-[bis[(E)-undec-5-enyl]amino]acetate.

Molecular Properties

Compound Namesodium 2-[bis[(E)-undec-5-enyl]amino]acetate
PubChem CID101275676
Molecular FormulaC24H44NNaO2
Molecular Weight401.61 g/mol
Exact Mass401.33
IUPAC Namesodium 2-[bis[(E)-undec-5-enyl]amino]acetate
SMILESCCCCC/C=C/CCCCN(CCCC/C=C/CCCCC)CC(=O)[O-].[Na+]
InChIInChI=1S/C24H45NO2.Na/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h11-14H,3-10,15-23H2,1-2H3,(H,26,27);/q;+1/p-1/b13-11+,14-12+;
InChIKeySUQIMLAPTPVWHY-JZOPPWQGSA-M
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-[carboxylatomethyl(octadec-9-enyl)amino]acetate
CID 71430810
lithium 2-[bis[(E)-undec-4-enyl]amino]acetate
CID 101275531
sodium 2-[bis[(E)-dodec-8-enyl]amino]acetate
CID 101275710
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992
sodium 2-[bis[(E)-oct-4-enyl]amino]acetate
CID 101313363
disodium bis(2-[dodecyl(propyl)amino]acetate)
CID 173116471
lithium 2-(dioctadecylamino)acetate
CID 101313636
potassium 2-[di(tridecyl)amino]acetate
CID 101313616
lithium 2-[di(tridecyl)amino]acetate
CID 101313614
lithium 2-[di(tetradecyl)amino]acetate
CID 101313618
2-[carboxylatomethyl(hexadecyl)amino]acetate
CID 59297428
sodium 2-[carboxymethyl-[(E)-oct-3-enyl]amino]acetate
CID 101285023

Frequently Asked Questions

What is the IUPAC name of sodium 2-[bis[(E)-undec-5-enyl]amino]acetate?
The IUPAC name of sodium 2-[bis[(E)-undec-5-enyl]amino]acetate (CID 101275676) is sodium 2-[bis[(E)-undec-5-enyl]amino]acetate.
What is the SMILES notation for sodium 2-[bis[(E)-undec-5-enyl]amino]acetate?
The canonical SMILES for sodium 2-[bis[(E)-undec-5-enyl]amino]acetate is CCCCC/C=C/CCCCN(CCCC/C=C/CCCCC)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[bis[(E)-undec-5-enyl]amino]acetate?
The InChIKey is SUQIMLAPTPVWHY-JZOPPWQGSA-M. The full InChI is InChI=1S/C24H45NO2.Na/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h11-14H,3-10,15-23H2,1-2H3,(H,26,27);/q;+1/p-1/b13-11+,14-12+;.
What are the key properties of sodium 2-[bis[(E)-undec-5-enyl]amino]acetate?
sodium 2-[bis[(E)-undec-5-enyl]amino]acetate has a molecular weight of 401.61 g/mol, XLogP of 2.66, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[bis[(E)-undec-5-enyl]amino]acetate is sourced from PubChem (CID 101275676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).