11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid

C21H39NO2 — CID 68626767

IUPAC11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid
SMILESCN(C)CCCC(CCCCCCCC[C@H]1C=CCC1)CC(=O)O
InChIInChI=1S/C21H39NO2/c1-22(2)17-11-16-20(18-21(23)24)15-8-6-4-3-5-7-12-19-13-9-10-14-19/h9,13,19-20H,3-8,10-12,14-18H2,1-2H3,(H,23,24)/t19-,20?/m0/s1
InChIKeyOEBSVOPVONGVHV-XJDOXCRVSA-N
MW337.55 g/mol
LogP5.51
Rot. Bonds15

About 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid

11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid (PubChem CID 68626767) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid.

Molecular Properties

Compound Name11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid
PubChem CID68626767
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid
SMILESCN(C)CCCC(CCCCCCCC[C@H]1C=CCC1)CC(=O)O
InChIInChI=1S/C21H39NO2/c1-22(2)17-11-16-20(18-21(23)24)15-8-6-4-3-5-7-12-19-13-9-10-14-19/h9,13,19-20H,3-8,10-12,14-18H2,1-2H3,(H,23,24)/t19-,20?/m0/s1
InChIKeyOEBSVOPVONGVHV-XJDOXCRVSA-N
XLogP5.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 55.51
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 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid?
The IUPAC name of 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid (CID 68626767) is 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid.
What is the SMILES notation for 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid?
The canonical SMILES for 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid is CN(C)CCCC(CCCCCCCC[C@H]1C=CCC1)CC(=O)O.
What is the InChIKey of 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid?
The InChIKey is OEBSVOPVONGVHV-XJDOXCRVSA-N. The full InChI is InChI=1S/C21H39NO2/c1-22(2)17-11-16-20(18-21(23)24)15-8-6-4-3-5-7-12-19-13-9-10-14-19/h9,13,19-20H,3-8,10-12,14-18H2,1-2H3,(H,23,24)/t19-,20?/m0/s1.
What are the key properties of 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid?
11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid has a molecular weight of 337.55 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1R)-cyclopent-2-en-1-yl]-3-[3-(dimethylamino)propyl]undecanoic acid is sourced from PubChem (CID 68626767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).