6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid

C11H13NO3 — CID 84675013

IUPAC6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCOc1c(N)cc2c(c1C(=O)O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-10-8(12)5-6-3-2-4-7(6)9(10)11(13)14/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyVWHKOUPZLDWGBD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.46
Rot. Bonds2

About 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid

6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 84675013) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID84675013
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCOc1c(N)cc2c(c1C(=O)O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-10-8(12)5-6-3-2-4-7(6)9(10)11(13)14/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyVWHKOUPZLDWGBD-UHFFFAOYSA-N
XLogP1.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid (CID 84675013) is 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid is COc1c(N)cc2c(c1C(=O)O)CCC2.
What is the InChIKey of 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is VWHKOUPZLDWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-10-8(12)5-6-3-2-4-7(6)9(10)11(13)14/h5H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid?
6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 84675013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).