2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid

C25H38N2O4 — CID 144753909

IUPAC2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(=O)NCC(=O)O
InChIInChI=1S/C25H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-21-20-24(29)27-22-25(30)31/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyXALGYKQVXIXNKT-JLNKQSITSA-N
MW430.59 g/mol
LogP4.62
Rot. Bonds18

About 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid

2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid (PubChem CID 144753909) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid
PubChem CID144753909
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Name2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(=O)NCC(=O)O
InChIInChI=1S/C25H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-21-20-24(29)27-22-25(30)31/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyXALGYKQVXIXNKT-JLNKQSITSA-N
XLogP4.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.62
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'}

Analyze 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]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
Oleamidopropyl Betaine
CID 6436555
carboxymethyl-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium hydroxide
CID 20838693
1-propanaminium, n-(carboxymethyl)-n,n-dimethyl-3-(((13z)-1-oxo-13-docosen-1-yl)amino)-, inner salt
CID 76962055
2-[[(Z)-13-[heptanoyl(propan-2-yl)amino]tridec-8-enoyl]amino]acetic acid
CID 66556285
Docosahexaenoyl glycine
CID 9908158
N-linolenoylglycine
CID 11515538
N-icosa-5,8,11,14-tetraenoylglycine
CID 4345
N-arachidonoylglycinate
CID 40486877

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid (CID 144753909) is 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid?
The InChIKey is XALGYKQVXIXNKT-JLNKQSITSA-N. The full InChI is InChI=1S/C25H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-21-20-24(29)27-22-25(30)31/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid?
2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid has a molecular weight of 430.59 g/mol, XLogP of 4.62, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid is sourced from PubChem (CID 144753909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).