2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C12H15NO2 — CID 105457500

IUPAC2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C)C1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyUFVUDAGFZIJYRN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds2

About 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 105457500) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID105457500
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C)C1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyUFVUDAGFZIJYRN-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N,2-N-dimethyl-2,3-dihydro-1H-indene-2,5-diamine
CID 58289987
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63174789
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one
CID 142261137
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
2-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 69302175
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 105457500) is 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is CN(C)C1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is UFVUDAGFZIJYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 105457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).