4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid

C23H48N4O4 — CID 87391029

IUPAC4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
SMILESO=C(O)CCCNCCNCCCCCCCCCCCNCCNCCCC(=O)O
InChIInChI=1S/C23H48N4O4/c28-22(29)12-10-16-26-20-18-24-14-8-6-4-2-1-3-5-7-9-15-25-19-21-27-17-11-13-23(30)31/h24-27H,1-21H2,(H,28,29)(H,30,31)
InChIKeyVXPRYJIMRRTBBH-UHFFFAOYSA-N
MW444.66 g/mol
LogP2.59
Rot. Bonds26

About 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid

4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid (PubChem CID 87391029) has the molecular formula C23H48N4O4 and a molecular weight of 444.66 g/mol. Its IUPAC name is 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
PubChem CID87391029
Molecular FormulaC23H48N4O4
Molecular Weight444.66 g/mol
Exact Mass444.37
IUPAC Name4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
SMILESO=C(O)CCCNCCNCCCCCCCCCCCNCCNCCCC(=O)O
InChIInChI=1S/C23H48N4O4/c28-22(29)12-10-16-26-20-18-24-14-8-6-4-2-1-3-5-7-9-15-25-19-21-27-17-11-13-23(30)31/h24-27H,1-21H2,(H,28,29)(H,30,31)
InChIKeyVXPRYJIMRRTBBH-UHFFFAOYSA-N
XLogP2.59
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 52.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid with MolForge

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Related Compounds

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid?
The IUPAC name of 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid (CID 87391029) is 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid?
The canonical SMILES for 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid is O=C(O)CCCNCCNCCCCCCCCCCCNCCNCCCC(=O)O.
What is the InChIKey of 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid?
The InChIKey is VXPRYJIMRRTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4O4/c28-22(29)12-10-16-26-20-18-24-14-8-6-4-2-1-3-5-7-9-15-25-19-21-27-17-11-13-23(30)31/h24-27H,1-21H2,(H,28,29)(H,30,31).
What are the key properties of 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid?
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid has a molecular weight of 444.66 g/mol, XLogP of 2.59, 26 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid is sourced from PubChem (CID 87391029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).