(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid

C16H29NO3 — CID 91477207

IUPAC(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid
SMILESCCC[C@@H](CC=CCC=CCCCC(=O)O)NCCO
InChIInChI=1S/C16H29NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5-6,8,15,17-18H,2,4,7,9-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFDPAYVDHOXMDEJ-HNNXBMFYSA-N
MW283.41 g/mol
LogP2.88
Rot. Bonds13

About (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid

(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid (PubChem CID 91477207) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid.

Molecular Properties

Compound Name(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid
PubChem CID91477207
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid
SMILESCCC[C@@H](CC=CCC=CCCCC(=O)O)NCCO
InChIInChI=1S/C16H29NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5-6,8,15,17-18H,2,4,7,9-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFDPAYVDHOXMDEJ-HNNXBMFYSA-N
XLogP2.88
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.88
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

(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 22398295
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
CID 171118583
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671

Frequently Asked Questions

What is the IUPAC name of (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid?
The IUPAC name of (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid (CID 91477207) is (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid.
What is the SMILES notation for (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid?
The canonical SMILES for (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid is CCC[C@@H](CC=CCC=CCCCC(=O)O)NCCO.
What is the InChIKey of (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid?
The InChIKey is FDPAYVDHOXMDEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5-6,8,15,17-18H,2,4,7,9-14H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid?
(11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.88, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-(2-hydroxyethylamino)tetradeca-5,8-dienoic acid is sourced from PubChem (CID 91477207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).