11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid

C25H53N5O4 — CID 18956800

IUPAC11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNCCNCCNCCNCCNCCCCCC(=O)O
InChIInChI=1S/C25H53N5O4/c31-24(32)12-8-5-3-1-2-4-6-10-14-26-16-18-28-20-22-30-23-21-29-19-17-27-15-11-7-9-13-25(33)34/h26-30H,1-23H2,(H,31,32)(H,33,34)
InChIKeyLLMSBNMXJLSHDT-UHFFFAOYSA-N
MW487.73 g/mol
LogP2.17
Rot. Bonds29

About 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid (PubChem CID 18956800) has the molecular formula C25H53N5O4 and a molecular weight of 487.73 g/mol. Its IUPAC name is 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid.

Molecular Properties

Compound Name11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
PubChem CID18956800
Molecular FormulaC25H53N5O4
Molecular Weight487.73 g/mol
Exact Mass487.41
IUPAC Name11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNCCNCCNCCNCCNCCCCCC(=O)O
InChIInChI=1S/C25H53N5O4/c31-24(32)12-8-5-3-1-2-4-6-10-14-26-16-18-28-20-22-30-23-21-29-19-17-27-15-11-7-9-13-25(33)34/h26-30H,1-23H2,(H,31,32)(H,33,34)
InChIKeyLLMSBNMXJLSHDT-UHFFFAOYSA-N
XLogP2.17
TPSA134.75 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.73
LogP ≤ 52.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
6-(2-bromoethylamino)hexanoic acid
CID 102350693
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid?
The IUPAC name of 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid (CID 18956800) is 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid.
What is the SMILES notation for 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid?
The canonical SMILES for 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid is O=C(O)CCCCCCCCCCNCCNCCNCCNCCNCCCCCC(=O)O.
What is the InChIKey of 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid?
The InChIKey is LLMSBNMXJLSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N5O4/c31-24(32)12-8-5-3-1-2-4-6-10-14-26-16-18-28-20-22-30-23-21-29-19-17-27-15-11-7-9-13-25(33)34/h26-30H,1-23H2,(H,31,32)(H,33,34).
What are the key properties of 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid?
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid has a molecular weight of 487.73 g/mol, XLogP of 2.17, 29 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid is sourced from PubChem (CID 18956800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).