(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid

C38H69NO2 — CID 146620095

IUPAC(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(N)(CCCCCCCC/C=C\C/C=C\CCCCC)C(=O)O
InChIInChI=1S/C38H69NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39,37(40)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36,39H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-
InChIKeyGWAMKPZHFGJTKR-MAZCIEHSSA-N
MW571.98 g/mol
LogP12.18
Rot. Bonds31

About (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid

(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid (PubChem CID 146620095) has the molecular formula C38H69NO2 and a molecular weight of 571.98 g/mol. Its IUPAC name is (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid.

Molecular Properties

Compound Name(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
PubChem CID146620095
Molecular FormulaC38H69NO2
Molecular Weight571.98 g/mol
Exact Mass571.53
IUPAC Name(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(N)(CCCCCCCC/C=C\C/C=C\CCCCC)C(=O)O
InChIInChI=1S/C38H69NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39,37(40)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36,39H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-
InChIKeyGWAMKPZHFGJTKR-MAZCIEHSSA-N
XLogP12.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.98
LogP ≤ 512.18
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 (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-amino-2-octadecylicosanoic acid
CID 18935913
2-methyl-2-octadeca-9,12-dienylpropanedioic acid
CID 173462523
[(24Z,27Z)-15-carboxytritriaconta-24,27-dien-15-yl]-trimethylazanium
CID 87390525
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
2,2-dimethylicosa-5,8,11,14-tetraenoic acid
CID 54277636
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
(8E,11E)-octadeca-8,11-dienoic acid
CID 5312487
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid?
The IUPAC name of (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid (CID 146620095) is (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid.
What is the SMILES notation for (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid?
The canonical SMILES for (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid is CCCCC/C=C\C/C=C\CCCCCCCCC(N)(CCCCCCCC/C=C\C/C=C\CCCCC)C(=O)O.
What is the InChIKey of (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid?
The InChIKey is GWAMKPZHFGJTKR-MAZCIEHSSA-N. The full InChI is InChI=1S/C38H69NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39,37(40)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36,39H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-.
What are the key properties of (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid?
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid has a molecular weight of 571.98 g/mol, XLogP of 12.18, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid is sourced from PubChem (CID 146620095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).