3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride

C12H16ClNO2 — CID 155892328

IUPAC3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride
SMILESCC1(C)Cc2ccc(C(=O)O)cc2C1N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-12(2)6-8-4-3-7(11(14)15)5-9(8)10(12)13;/h3-5,10H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyFKGLRAFYENDEQV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.39
Rot. Bonds1

About 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride

3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride (PubChem CID 155892328) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride
PubChem CID155892328
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride
SMILESCC1(C)Cc2ccc(C(=O)O)cc2C1N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-12(2)6-8-4-3-7(11(14)15)5-9(8)10(12)13;/h3-5,10H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyFKGLRAFYENDEQV-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride (CID 155892328) is 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride is CC1(C)Cc2ccc(C(=O)O)cc2C1N.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride?
The InChIKey is FKGLRAFYENDEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-12(2)6-8-4-3-7(11(14)15)5-9(8)10(12)13;/h3-5,10H,6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride?
3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 155892328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).