methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate

C20H20N2O5 — CID 7218255

IUPACmethyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(CC(=O)C(C)(C)C2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H20N2O5/c1-19(2)9-13-11(8-14(19)23)20(15(16(21)27-13)17(24)26-3)10-6-4-5-7-12(10)22-18(20)25/h4-7H,8-9,21H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyWKVOHKRSGMPUFZ-HXUWFJFHSA-N
MW368.39 g/mol
LogP1.89
Rot. Bonds1

About methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate

methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate (PubChem CID 7218255) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate
PubChem CID7218255
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(CC(=O)C(C)(C)C2)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H20N2O5/c1-19(2)9-13-11(8-14(19)23)20(15(16(21)27-13)17(24)26-3)10-6-4-5-7-12(10)22-18(20)25/h4-7H,8-9,21H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyWKVOHKRSGMPUFZ-HXUWFJFHSA-N
XLogP1.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate with MolForge

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Related Compounds

methyl (3R)-2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 7228280
methyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 2859937
methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
CID 3520149
3-O'-tert-butyl 5-O'-methyl (3S)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 7350997
3-O'-benzyl 5-O'-methyl (3R)-2'-amino-6'-(methoxymethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 26914374
5-O'-ethyl 3-O'-methyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3692658
5-O'-ethyl 3-O'-methyl (3S)-2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215509
3-O'-ethyl 5-O'-methyl (3S)-2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215713
3-O'-(2-methoxyethyl) 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3832418
dipropan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3282502
methyl (3S)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 7385076
ethyl (3S)-2'-amino-5'-cyano-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 7258485

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate?
The IUPAC name of methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate (CID 7218255) is methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate.
What is the SMILES notation for methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate?
The canonical SMILES for methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate is COC(=O)C1=C(N)OC2=C(CC(=O)C(C)(C)C2)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate?
The InChIKey is WKVOHKRSGMPUFZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-19(2)9-13-11(8-14(19)23)20(15(16(21)27-13)17(24)26-3)10-6-4-5-7-12(10)22-18(20)25/h4-7H,8-9,21H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate?
methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate is sourced from PubChem (CID 7218255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).