1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C11H13NO2 — CID 55272682

IUPAC1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)CCC2N
InChIInChI=1S/C11H13NO2/c1-6-4-9-7(2-3-10(9)12)5-8(6)11(13)14/h4-5,10H,2-3,12H2,1H3,(H,13,14)
InChIKeyDTLFLQIFHMZFBR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.64
Rot. Bonds1

About 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 55272682) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID55272682
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)CCC2N
InChIInChI=1S/C11H13NO2/c1-6-4-9-7(2-3-10(9)12)5-8(6)11(13)14/h4-5,10H,2-3,12H2,1H3,(H,13,14)
InChIKeyDTLFLQIFHMZFBR-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 55272682) is 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)CCC2N.
What is the InChIKey of 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is DTLFLQIFHMZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-4-9-7(2-3-10(9)12)5-8(6)11(13)14/h4-5,10H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 55272682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).