dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate

C13H15NO4 — CID 11086141

IUPACdimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@](N)(C(=O)OC)c2ccccc21
InChIInChI=1S/C13H15NO4/c1-17-11(15)9-7-13(14,12(16)18-2)10-6-4-3-5-8(9)10/h3-6,9H,7,14H2,1-2H3/t9-,13-/m1/s1
InChIKeyIVMKBMKKONFDCF-NOZJJQNGSA-N
MW249.27 g/mol
LogP0.67
Rot. Bonds2

About dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate

dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate (PubChem CID 11086141) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
PubChem CID11086141
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namedimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@](N)(C(=O)OC)c2ccccc21
InChIInChI=1S/C13H15NO4/c1-17-11(15)9-7-13(14,12(16)18-2)10-6-4-3-5-8(9)10/h3-6,9H,7,14H2,1-2H3/t9-,13-/m1/s1
InChIKeyIVMKBMKKONFDCF-NOZJJQNGSA-N
XLogP0.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate?
The IUPAC name of dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate (CID 11086141) is dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate?
The canonical SMILES for dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate is COC(=O)[C@@H]1C[C@](N)(C(=O)OC)c2ccccc21.
What is the InChIKey of dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate?
The InChIKey is IVMKBMKKONFDCF-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-11(15)9-7-13(14,12(16)18-2)10-6-4-3-5-8(9)10/h3-6,9H,7,14H2,1-2H3/t9-,13-/m1/s1.
What are the key properties of dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate?
dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate is sourced from PubChem (CID 11086141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).