4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid

C24H41NO3 — CID 16759343

IUPAC4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCCC(=O)O
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13H,2-5,8,11,14-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-
InChIKeyOFDGGTFIZNTEHP-QNEBEIHSSA-N
MW391.60 g/mol
LogP6.34
Rot. Bonds19

About 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid

4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid (PubChem CID 16759343) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid
PubChem CID16759343
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCCC(=O)O
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13H,2-5,8,11,14-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-
InChIKeyOFDGGTFIZNTEHP-QNEBEIHSSA-N
XLogP6.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 56.34
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 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid?
The IUPAC name of 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid (CID 16759343) is 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid is CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid?
The InChIKey is OFDGGTFIZNTEHP-QNEBEIHSSA-N. The full InChI is InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13H,2-5,8,11,14-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-.
What are the key properties of 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid?
4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid has a molecular weight of 391.60 g/mol, XLogP of 6.34, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]butanoic acid is sourced from PubChem (CID 16759343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).