2-(dimethylamino)icos-11-enoic acid

C22H43NO2 — CID 57202670

IUPAC2-(dimethylamino)icos-11-enoic acid
SMILESCCCCCCCCC=CCCCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25)23(2)3/h11-12,21H,4-10,13-20H2,1-3H3,(H,24,25)
InChIKeyAVOSNPQSOWCBEX-UHFFFAOYSA-N
MW353.59 g/mol
LogP6.43
Rot. Bonds18

About 2-(dimethylamino)icos-11-enoic acid

2-(dimethylamino)icos-11-enoic acid (PubChem CID 57202670) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 2-(dimethylamino)icos-11-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)icos-11-enoic acid
PubChem CID57202670
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name2-(dimethylamino)icos-11-enoic acid
SMILESCCCCCCCCC=CCCCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25)23(2)3/h11-12,21H,4-10,13-20H2,1-3H3,(H,24,25)
InChIKeyAVOSNPQSOWCBEX-UHFFFAOYSA-N
XLogP6.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.43
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)icos-11-enoic acid?
The IUPAC name of 2-(dimethylamino)icos-11-enoic acid (CID 57202670) is 2-(dimethylamino)icos-11-enoic acid.
What is the SMILES notation for 2-(dimethylamino)icos-11-enoic acid?
The canonical SMILES for 2-(dimethylamino)icos-11-enoic acid is CCCCCCCCC=CCCCCCCCCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)icos-11-enoic acid?
The InChIKey is AVOSNPQSOWCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25)23(2)3/h11-12,21H,4-10,13-20H2,1-3H3,(H,24,25).
What are the key properties of 2-(dimethylamino)icos-11-enoic acid?
2-(dimethylamino)icos-11-enoic acid has a molecular weight of 353.59 g/mol, XLogP of 6.43, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)icos-11-enoic acid is sourced from PubChem (CID 57202670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).