2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid

C24H41NO2 — CID 90802647

IUPAC2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCCC(CCN)C(=O)O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21-22-25)24(26)27/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22,25H2,1H3,(H,26,27)
InChIKeyGLMYHZVBECOVOY-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.57
Rot. Bonds18

About 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid

2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid (PubChem CID 90802647) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid
PubChem CID90802647
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCCC(CCN)C(=O)O
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21-22-25)24(26)27/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22,25H2,1H3,(H,26,27)
InChIKeyGLMYHZVBECOVOY-UHFFFAOYSA-N
XLogP6.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid?
The IUPAC name of 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid (CID 90802647) is 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid.
What is the SMILES notation for 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid?
The canonical SMILES for 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCCCC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid?
The InChIKey is GLMYHZVBECOVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21-22-25)24(26)27/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22,25H2,1H3,(H,26,27).
What are the key properties of 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid?
2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid has a molecular weight of 375.60 g/mol, XLogP of 6.57, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)docosa-7,10,13,16-tetraenoic acid is sourced from PubChem (CID 90802647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).