2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid

C24H39NO3 — CID 16759330

IUPAC2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCC(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeyCPDDSLGNODDGEH-DOFZRALJSA-N
MW389.58 g/mol
LogP6.11
Rot. Bonds18

About 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid

2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid (PubChem CID 16759330) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid
PubChem CID16759330
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCC(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeyCPDDSLGNODDGEH-DOFZRALJSA-N
XLogP6.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.11
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'}

Analyze 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid with MolForge

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Related Compounds

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
N-Arachidonoyl glycine
CID 5283389
N-Oleoylglycine
CID 6436908
Oleoyl Sarcosine
CID 6912870
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide
CID 5282273
N-Linoleoyl glycine
CID 6433346
Palmitoleoyl Ethanolamide
CID 9835868
alpha-Linolenoyl Ethanolamide
CID 5283449
N-oleoyl leucine
CID 52922067
N-Oleoyl-L-Serine
CID 44190514

Frequently Asked Questions

What is the IUPAC name of 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid?
The IUPAC name of 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid (CID 16759330) is 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid?
The canonical SMILES for 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid?
The InChIKey is CPDDSLGNODDGEH-DOFZRALJSA-N. The full InChI is InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid?
2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid has a molecular weight of 389.58 g/mol, XLogP of 6.11, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]amino]acetic acid is sourced from PubChem (CID 16759330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).