6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid

C26H44N2O3 — CID 156963065

IUPAC6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C26H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)28-24(26(30)31)21-19-20-23-27/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23,27H2,1H3,(H,28,29)(H,30,31)/b7-6+,10-9+,13-12+,16-15+
InChIKeyFZWVZFRYSZWJHL-CGRWFSSPSA-N
MW432.65 g/mol
LogP5.83
Rot. Bonds20

About 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid

6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid (PubChem CID 156963065) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid
PubChem CID156963065
Molecular FormulaC26H44N2O3
Molecular Weight432.65 g/mol
Exact Mass432.34
IUPAC Name6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C26H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)28-24(26(30)31)21-19-20-23-27/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23,27H2,1H3,(H,28,29)(H,30,31)/b7-6+,10-9+,13-12+,16-15+
InChIKeyFZWVZFRYSZWJHL-CGRWFSSPSA-N
XLogP5.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid?
The IUPAC name of 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid (CID 156963065) is 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid is CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid?
The InChIKey is FZWVZFRYSZWJHL-CGRWFSSPSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)28-24(26(30)31)21-19-20-23-27/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23,27H2,1H3,(H,28,29)(H,30,31)/b7-6+,10-9+,13-12+,16-15+.
What are the key properties of 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid?
6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid has a molecular weight of 432.65 g/mol, XLogP of 5.83, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]hexanoic acid is sourced from PubChem (CID 156963065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).