2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid

C23H41NO3 — CID 174595895

IUPAC2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O.NCCO
InChIInChI=1S/C21H34O2.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23;3-1-2-4/h7-8,10-11,13-14,16-17,20H,3-6,9,12,15,18-19H2,1-2H3,(H,22,23);4H,1-3H2/b8-7-,11-10-,14-13-,17-16-;
InChIKeyUYCRNWHODSQOFY-UNHOMJHBSA-N
MW379.59 g/mol
LogP5.40
Rot. Bonds15

About 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid

2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid (PubChem CID 174595895) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
PubChem CID174595895
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O.NCCO
InChIInChI=1S/C21H34O2.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23;3-1-2-4/h7-8,10-11,13-14,16-17,20H,3-6,9,12,15,18-19H2,1-2H3,(H,22,23);4H,1-3H2/b8-7-,11-10-,14-13-,17-16-;
InChIKeyUYCRNWHODSQOFY-UNHOMJHBSA-N
XLogP5.40
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.40
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'}

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Related Compounds

2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
2-aminoicosa-5,8,11,14-tetraenoic acid
CID 91406143
(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid
CID 138403062
2-methylicosa-11,14-dienamide
CID 175746328
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351
tris(2-aminoethanol);(Z)-octadec-9-enoic acid
CID 158956613
tris(3-carboxybutyl)-[(E)-tetradec-4-enyl]azanium
CID 177475176
(9Z,12Z)-2-(hydroxymethyl)octadeca-9,12-dienoic acid
CID 139897007
(9E,12E)-2-propan-2-yloctadeca-9,12-dienoic acid
CID 23175818
fluoro(2-methylicosa-5,8,11,14-tetraenoyloxy)phosphinic acid
CID 91598542
(8E,10E,12Z)-2-methyloctadeca-8,10,12-trienoic acid
CID 87447749
(2S)-2-[[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 125183521

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid (CID 174595895) is 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid?
The InChIKey is UYCRNWHODSQOFY-UNHOMJHBSA-N. The full InChI is InChI=1S/C21H34O2.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23;3-1-2-4/h7-8,10-11,13-14,16-17,20H,3-6,9,12,15,18-19H2,1-2H3,(H,22,23);4H,1-3H2/b8-7-,11-10-,14-13-,17-16-;.
What are the key properties of 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid?
2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid has a molecular weight of 379.59 g/mol, XLogP of 5.40, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 174595895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).