5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate

C19H20N2O7 — CID 3238998

IUPAC5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H20N2O7/c1-10-13(17(23)27-9-8-25-2)19(14(15(20)28-10)16(22)26-3)11-6-4-5-7-12(11)21-18(19)24/h4-7H,8-9,20H2,1-3H3,(H,21,24)
InChIKeyVRJRKTVNSJMXRC-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.71
Rot. Bonds5

About 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate

5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate (PubChem CID 3238998) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.

Molecular Properties

Compound Name5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
PubChem CID3238998
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H20N2O7/c1-10-13(17(23)27-9-8-25-2)19(14(15(20)28-10)16(22)26-3)11-6-4-5-7-12(11)21-18(19)24/h4-7H,8-9,20H2,1-3H3,(H,21,24)
InChIKeyVRJRKTVNSJMXRC-UHFFFAOYSA-N
XLogP0.71
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?
The IUPAC name of 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate (CID 3238998) is 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
What is the SMILES notation for 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?
The canonical SMILES for 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate is COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12.
What is the InChIKey of 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?
The InChIKey is VRJRKTVNSJMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-10-13(17(23)27-9-8-25-2)19(14(15(20)28-10)16(22)26-3)11-6-4-5-7-12(11)21-18(19)24/h4-7H,8-9,20H2,1-3H3,(H,21,24).
What are the key properties of 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?
5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate has a molecular weight of 388.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O'-(2-methoxyethyl) 3-O'-methyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate is sourced from PubChem (CID 3238998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).