2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid

C15H21NO2 — CID 114989685

IUPAC2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCC(C)N(C)C1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-4-11(2)16(3)15(14(17)18)9-12-7-5-6-8-13(12)10-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyIHCAYVQJBGVRGZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds4

About 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 114989685) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID114989685
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCC(C)N(C)C1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-4-11(2)16(3)15(14(17)18)9-12-7-5-6-8-13(12)10-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyIHCAYVQJBGVRGZ-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 114989685) is 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid is CCC(C)N(C)C1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is IHCAYVQJBGVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-11(2)16(3)15(14(17)18)9-12-7-5-6-8-13(12)10-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 114989685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).