2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid

C23H33NO3 — CID 53326887

IUPAC2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCC(=O)O
InChIInChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(26)27/h3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,19-21H2,1H3,(H,24,25)(H,26,27)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-
InChIKeyYBZWGRQEULPTCZ-MBMMKWFLSA-N
MW371.52 g/mol
LogP5.28
Rot. Bonds15

About 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid

2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid (PubChem CID 53326887) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid
PubChem CID53326887
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCC(=O)O
InChIInChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(26)27/h3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,19-21H2,1H3,(H,24,25)(H,26,27)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-
InChIKeyYBZWGRQEULPTCZ-MBMMKWFLSA-N
XLogP5.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid with MolForge

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Related Compounds

N-Arachidonoyl glycine
CID 5283389
N-Oleoylglycine
CID 6436908
N-Linoleoyl glycine
CID 6433346
N-arachidonoyl alanine
CID 40846579
2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]acetic Acid
CID 9908158
N-linolenoylglycine
CID 11515538
N-icosa-5,8,11,14-tetraenoylglycine
CID 4345
N-arachidonoylglycinate
CID 40486877
N-docosahexaenoyl GABA
CID 16759346
2-[[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]amino]acetic acid
CID 11559087
(2R)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic Acid
CID 11581599
2-[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]amino]acetic acid
CID 16759329

Frequently Asked Questions

What is the IUPAC name of 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid?
The IUPAC name of 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid (CID 53326887) is 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid?
The canonical SMILES for 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid is CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid?
The InChIKey is YBZWGRQEULPTCZ-MBMMKWFLSA-N. The full InChI is InChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21-23(26)27/h3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,19-21H2,1H3,(H,24,25)(H,26,27)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-.
What are the key properties of 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid?
2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid has a molecular weight of 371.52 g/mol, XLogP of 5.28, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4Z,7Z,10Z,12Z,15Z,18Z)-henicosa-4,7,10,12,15,18-hexaenoyl]amino]acetic acid is sourced from PubChem (CID 53326887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).