lithium 4-(didodecylamino)pentanoate

C29H58LiNO2 — CID 101314130

IUPAClithium 4-(didodecylamino)pentanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C29H59NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-26-30(28(3)24-25-29(31)32)27-23-21-19-17-15-13-11-9-7-5-2;/h28H,4-27H2,1-3H3,(H,31,32);/q;+1/p-1
InChIKeyGIKWLCSKAIWHDZ-UHFFFAOYSA-M
MW459.73 g/mol
LogP5.05
Rot. Bonds26

About lithium 4-(didodecylamino)pentanoate

lithium 4-(didodecylamino)pentanoate (PubChem CID 101314130) has the molecular formula C29H58LiNO2 and a molecular weight of 459.73 g/mol. Its IUPAC name is lithium 4-(didodecylamino)pentanoate.

Molecular Properties

Compound Namelithium 4-(didodecylamino)pentanoate
PubChem CID101314130
Molecular FormulaC29H58LiNO2
Molecular Weight459.73 g/mol
Exact Mass459.46
IUPAC Namelithium 4-(didodecylamino)pentanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C29H59NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-26-30(28(3)24-25-29(31)32)27-23-21-19-17-15-13-11-9-7-5-2;/h28H,4-27H2,1-3H3,(H,31,32);/q;+1/p-1
InChIKeyGIKWLCSKAIWHDZ-UHFFFAOYSA-M
XLogP5.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.05
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

lithium 4-[di(nonadecyl)amino]pentanoate
CID 101314270
lithium 4-[di(nonyl)amino]pentanoate
CID 101314070
calcium bis(4-(didodecylamino)pentanoate)
CID 101314133
sodium 5-[di(pentadecyl)amino]hexanoate
CID 101314546
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
4-[di(henicosyl)amino]pentanoic acid
CID 101314309
4-[di(nonyl)amino]pentanoic acid
CID 101314069
4-(dioctylamino)pentanoic acid
CID 101313470
4-[di(docosyl)amino]pentanoic acid
CID 101314329
potassium 4-[di(tetracosyl)amino]hexanoate
CID 101314765
sodium 4-(didecylamino)hexanoate
CID 101314417

Frequently Asked Questions

What is the IUPAC name of lithium 4-(didodecylamino)pentanoate?
The IUPAC name of lithium 4-(didodecylamino)pentanoate (CID 101314130) is lithium 4-(didodecylamino)pentanoate.
What is the SMILES notation for lithium 4-(didodecylamino)pentanoate?
The canonical SMILES for lithium 4-(didodecylamino)pentanoate is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+].
What is the InChIKey of lithium 4-(didodecylamino)pentanoate?
The InChIKey is GIKWLCSKAIWHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H59NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-26-30(28(3)24-25-29(31)32)27-23-21-19-17-15-13-11-9-7-5-2;/h28H,4-27H2,1-3H3,(H,31,32);/q;+1/p-1.
What are the key properties of lithium 4-(didodecylamino)pentanoate?
lithium 4-(didodecylamino)pentanoate has a molecular weight of 459.73 g/mol, XLogP of 5.05, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(didodecylamino)pentanoate is sourced from PubChem (CID 101314130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).