2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid

C24H39NO2 — CID 123884869

IUPAC2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid
SMILESCCC=CCC=CCC=CCC=CCC=CCCCCNC(CC)C(=O)O
InChIInChI=1S/C24H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(4-2)24(26)27/h5-6,8-9,11-12,14-15,17-18,23,25H,3-4,7,10,13,16,19-22H2,1-2H3,(H,26,27)
InChIKeySABYMGAFHDJWRE-UHFFFAOYSA-N
MW373.58 g/mol
LogP6.36
Rot. Bonds17

About 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid

2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid (PubChem CID 123884869) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid.

Molecular Properties

Compound Name2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid
PubChem CID123884869
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid
SMILESCCC=CCC=CCC=CCC=CCC=CCCCCNC(CC)C(=O)O
InChIInChI=1S/C24H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(4-2)24(26)27/h5-6,8-9,11-12,14-15,17-18,23,25H,3-4,7,10,13,16,19-22H2,1-2H3,(H,26,27)
InChIKeySABYMGAFHDJWRE-UHFFFAOYSA-N
XLogP6.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 56.36
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

2-[[(E)-pent-2-enyl]amino]butanoic acid
CID 175267894
(9E,12E,15E)-2-ethyloctadeca-9,12,15-trienoic acid
CID 22321183
(2S)-2-[[(Z)-icos-11-enyl]amino]pentanedioic acid
CID 151267787
(11Z,14Z,17Z)-3-oxo-2-(propylamino)icosa-11,14,17-trienoic acid
CID 139609693
CID 87067082
CID 87067082
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211
(2S)-2-icosa-5,8,11,14,17-pentaenoxybutanoic acid
CID 91030738
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
CID 89050149
(2S)-5-amino-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid
CID 20832333
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487

Frequently Asked Questions

What is the IUPAC name of 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid?
The IUPAC name of 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid (CID 123884869) is 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid.
What is the SMILES notation for 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid?
The canonical SMILES for 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid is CCC=CCC=CCC=CCC=CCC=CCCCCNC(CC)C(=O)O.
What is the InChIKey of 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid?
The InChIKey is SABYMGAFHDJWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(4-2)24(26)27/h5-6,8-9,11-12,14-15,17-18,23,25H,3-4,7,10,13,16,19-22H2,1-2H3,(H,26,27).
What are the key properties of 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid?
2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid has a molecular weight of 373.58 g/mol, XLogP of 6.36, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid is sourced from PubChem (CID 123884869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).