TL;DR: (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212299-25-6) is a chemical compound with molecular formula C20H20N4O6 and molecular weight 412.13828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxyethyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, 2-methoxyethyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, 2-methoxyethyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C20H20N4O6 |
| Molecular Weight | 412.13828 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13828 Da |
| Heavy Atoms | 30 |
| Complexity | 885.0 |
| SMILES | CC1=C([C@@]2(C3=CC=CC=C3N(C2=O)CC(=O)N)C(=C(O1)N)C#N)C(=O)OCCOC |
| InChIKey | VDUBAVCTKCVDIC-HXUWFJFHSA-N |
The XLogP value of -0.3 indicates that (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 1212299-25-6.
The molecular formula of (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is C20H20N4O6.
The molecular weight of (R)-2-methoxyethyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 412.13828 g/mol.
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