2-aminoicosa-5,8,11,14-tetraenoic acid

C20H33NO2 — CID 91406143

IUPAC2-aminoicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCC(N)C(=O)O
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,9-10,12-13,15-16,19H,2-5,8,11,14,17-18,21H2,1H3,(H,22,23)
InChIKeyVQVYTMFQCFQNQV-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.15
Rot. Bonds14

About 2-aminoicosa-5,8,11,14-tetraenoic acid

2-aminoicosa-5,8,11,14-tetraenoic acid (PubChem CID 91406143) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-aminoicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name2-aminoicosa-5,8,11,14-tetraenoic acid
PubChem CID91406143
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-aminoicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCC(N)C(=O)O
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,9-10,12-13,15-16,19H,2-5,8,11,14,17-18,21H2,1H3,(H,22,23)
InChIKeyVQVYTMFQCFQNQV-UHFFFAOYSA-N
XLogP5.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.15
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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Related Compounds

(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
CID 174595895
2-aminopentanedioic acid;(Z)-octadec-9-en-1-ol
CID 174664622
(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
CID 87630755
(9Z,12Z)-2-(dihydroxymethyl)octadeca-9,12-dienoic acid
CID 141316227
(9E,12E)-2-propan-2-yloctadeca-9,12-dienoic acid
CID 23175818
(9Z,12Z)-2-(hydroxymethyl)octadeca-9,12-dienoic acid
CID 139897007
2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid
CID 138403062
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459

Frequently Asked Questions

What is the IUPAC name of 2-aminoicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of 2-aminoicosa-5,8,11,14-tetraenoic acid (CID 91406143) is 2-aminoicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for 2-aminoicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for 2-aminoicosa-5,8,11,14-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCC(N)C(=O)O.
What is the InChIKey of 2-aminoicosa-5,8,11,14-tetraenoic acid?
The InChIKey is VQVYTMFQCFQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,9-10,12-13,15-16,19H,2-5,8,11,14,17-18,21H2,1H3,(H,22,23).
What are the key properties of 2-aminoicosa-5,8,11,14-tetraenoic acid?
2-aminoicosa-5,8,11,14-tetraenoic acid has a molecular weight of 319.49 g/mol, XLogP of 5.15, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 91406143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).