5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate

C15H19NO4 — CID 150000037

IUPAC5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC(C)C)CCC2N
InChIInChI=1S/C15H19NO4/c1-8(2)20-15(18)13-10-6-7-12(16)9(10)4-5-11(13)14(17)19-3/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyDBBWUFPATCEDCA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds3

About 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate

5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate (PubChem CID 150000037) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate.

Molecular Properties

Compound Name5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
PubChem CID150000037
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1C(=O)OC(C)C)CCC2N
InChIInChI=1S/C15H19NO4/c1-8(2)20-15(18)13-10-6-7-12(16)9(10)4-5-11(13)14(17)19-3/h4-5,8,12H,6-7,16H2,1-3H3
InChIKeyDBBWUFPATCEDCA-UHFFFAOYSA-N
XLogP1.98
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate?
The IUPAC name of 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate (CID 150000037) is 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate.
What is the SMILES notation for 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate?
The canonical SMILES for 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate is COC(=O)c1ccc2c(c1C(=O)OC(C)C)CCC2N.
What is the InChIKey of 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate?
The InChIKey is DBBWUFPATCEDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-8(2)20-15(18)13-10-6-7-12(16)9(10)4-5-11(13)14(17)19-3/h4-5,8,12H,6-7,16H2,1-3H3.
What are the key properties of 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate?
5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate is sourced from PubChem (CID 150000037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).