(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid

C24H39NO3 — CID 138403062

IUPAC(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(CCN)C(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)22(20-21-25)24(27)28/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21,25H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeySUALNZUGNWDGKQ-DOFZRALJSA-N
MW389.58 g/mol
LogP5.75
Rot. Bonds18

About (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid

(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid (PubChem CID 138403062) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid
PubChem CID138403062
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(CCN)C(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)22(20-21-25)24(27)28/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21,25H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeySUALNZUGNWDGKQ-DOFZRALJSA-N
XLogP5.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid with MolForge

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Related Compounds

(Z)-2-hexadecyl-3-oxoicos-11-enoic acid
CID 141153768
2-dodecyl-3-oxotetracos-15-enoic acid
CID 173128704
(Z)-2-hexadecyl-3-oxoicos-11-enoic acid;octadecanoic acid
CID 174849935
2-[(Z)-octadec-9-enoyl]decanedioic acid
CID 174792451
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
(2S,3R,8Z,11Z,14Z,17Z)-2-amino-1,3-dihydroxytricosa-8,11,14,17-tetraen-4-one
CID 124674987
2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
CID 174595895
2-aminoicosa-5,8,11,14-tetraenoic acid
CID 91406143

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid?
The IUPAC name of (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid (CID 138403062) is (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid.
What is the SMILES notation for (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid?
The canonical SMILES for (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(CCN)C(=O)O.
What is the InChIKey of (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid?
The InChIKey is SUALNZUGNWDGKQ-DOFZRALJSA-N. The full InChI is InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)22(20-21-25)24(27)28/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21,25H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid?
(7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid has a molecular weight of 389.58 g/mol, XLogP of 5.75, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z)-2-(2-aminoethyl)-3-oxodocosa-7,10,13,16-tetraenoic acid is sourced from PubChem (CID 138403062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).