5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate

C22H26N2O6 — CID 1115110

About 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate

5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate (PubChem CID 1115110) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.

Molecular Properties

• Compound Name: 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
• PubChem CID: 1115110
• Molecular Formula: C22H26N2O6
• Molecular Weight: 414.46 g/mol
• Exact Mass: 414.18
• IUPAC Name: 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
• SMILES: CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)C)=C(N)O1
• InChI: InChI=1S/C22H26N2O6/c1-5-9-15-16(19(25)28-6-2)22(13-10-7-8-11-14(13)24-21(22)27)17(18(23)30-15)20(26)29-12(3)4/h7-8,10-12H,5-6,9,23H2,1-4H3,(H,24,27)/t22-/m1/s1
• InChIKey: YQFVLFHJOMYVHI-JOCHJYFZSA-N
• XLogP: 2.65
• TPSA: 116.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.46
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?

The IUPAC name of 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate (CID 1115110) is 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.

What is the SMILES notation for 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?

The canonical SMILES for 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate is CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)C)=C(N)O1.

What is the InChIKey of 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?

The InChIKey is YQFVLFHJOMYVHI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-9-15-16(19(25)28-6-2)22(13-10-7-8-11-14(13)24-21(22)27)17(18(23)30-15)20(26)29-12(3)4/h7-8,10-12H,5-6,9,23H2,1-4H3,(H,24,27)/t22-/m1/s1.

What are the key properties of 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate?

5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate has a molecular weight of 414.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-O'-ethyl 3-O'-propan-2-yl (3R)-2'-amino-2-oxo-6'-propylspiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate is sourced from PubChem (CID 1115110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).