3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid

C15H18N2O2 — CID 18691549

IUPAC3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
SMILESCN(C)C1CC(c2c[nH]c3ccc(C(=O)O)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-17(2)11-5-10(6-11)13-8-16-14-4-3-9(15(18)19)7-12(13)14/h3-4,7-8,10-11,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyVOBINROUCNUZCG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.67
Rot. Bonds3

About 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid

3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid (PubChem CID 18691549) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
PubChem CID18691549
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
SMILESCN(C)C1CC(c2c[nH]c3ccc(C(=O)O)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-17(2)11-5-10(6-11)13-8-16-14-4-3-9(15(18)19)7-12(13)14/h3-4,7-8,10-11,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyVOBINROUCNUZCG-UHFFFAOYSA-N
XLogP2.67
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid (CID 18691549) is 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid is CN(C)C1CC(c2c[nH]c3ccc(C(=O)O)cc23)C1.
What is the InChIKey of 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid?
The InChIKey is VOBINROUCNUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(2)11-5-10(6-11)13-8-16-14-4-3-9(15(18)19)7-12(13)14/h3-4,7-8,10-11,16H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid?
3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 18691549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).