2-(icosa-5,8,11,14-tetraenoylamino)acetic acid

C22H35NO3 — CID 4345

IUPAC2-(icosa-5,8,11,14-tetraenoylamino)acetic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O
InChIInChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)
InChIKeyYLEARPUNMCCKMP-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.33
Rot. Bonds16

About 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid

2-(icosa-5,8,11,14-tetraenoylamino)acetic acid (PubChem CID 4345) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid.

Molecular Properties

Compound Name2-(icosa-5,8,11,14-tetraenoylamino)acetic acid
PubChem CID4345
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name2-(icosa-5,8,11,14-tetraenoylamino)acetic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O
InChIInChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)
InChIKeyYLEARPUNMCCKMP-UHFFFAOYSA-N
XLogP5.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.33
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

Anandamide
CID 5281969
N-Arachidonoyl glycine
CID 5283389
N-Oleoylglycine
CID 6436908
Oleoyl Sarcosine
CID 6912870
N-Linoleoyl glycine
CID 6433346
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoylethanolamine
CID 5283450
(5E,8E,11E,14E)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
CID 5353408
N-arachidonoyl GABA
CID 16759310
Oleamidopropyl Betaine
CID 6436555
Undecylenoyl Glycine
CID 10037355
N-Arachidonoyl L-serine
CID 10596625
N-arachidonoyl alanine
CID 40846579

Frequently Asked Questions

What is the IUPAC name of 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid?
The IUPAC name of 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid (CID 4345) is 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid.
What is the SMILES notation for 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid?
The canonical SMILES for 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid?
The InChIKey is YLEARPUNMCCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid?
2-(icosa-5,8,11,14-tetraenoylamino)acetic acid has a molecular weight of 361.53 g/mol, XLogP of 5.33, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(icosa-5,8,11,14-tetraenoylamino)acetic acid is sourced from PubChem (CID 4345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).