ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate

C19H18N2O6 — CID 6581829

IUPACethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)O[C@H](C)C2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O6/c1-3-25-16(22)14-15(20)27-12-8-9(2)26-17(23)13(12)19(14)10-6-4-5-7-11(10)21-18(19)24/h4-7,9H,3,8,20H2,1-2H3,(H,21,24)/t9-,19+/m1/s1
InChIKeyKYKFYHXAKITAHY-HOGDKLEQSA-N
MW370.36 g/mol
LogP1.23
Rot. Bonds2

About ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate

ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate (PubChem CID 6581829) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate.

Molecular Properties

Compound Nameethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate
PubChem CID6581829
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Nameethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)O[C@H](C)C2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O6/c1-3-25-16(22)14-15(20)27-12-8-9(2)26-17(23)13(12)19(14)10-6-4-5-7-11(10)21-18(19)24/h4-7,9H,3,8,20H2,1-2H3,(H,21,24)/t9-,19+/m1/s1
InChIKeyKYKFYHXAKITAHY-HOGDKLEQSA-N
XLogP1.23
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R,7'R)-2'-amino-7'-(3,4-dimethoxyphenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 40977878
ethyl 2'-amino-5'-methyl-2-oxospiro[1H-indole-3,4'-6H-pyrano[3,2-c][1,5]benzodiazepine]-3'-carboxylate
CID 10811828
5-O'-tert-butyl 3-O'-ethyl (3R)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1246073
3-O'-tert-butyl 5-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3825241
ethyl (3S)-2'-amino-5'-cyano-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 7258485
ethyl (3S)-2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 6579444
ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 3580763
ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 6324438
ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate
CID 3162765
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
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
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

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate?
The IUPAC name of ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate (CID 6581829) is ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate.
What is the SMILES notation for ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate?
The canonical SMILES for ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)O[C@H](C)C2)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate?
The InChIKey is KYKFYHXAKITAHY-HOGDKLEQSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-25-16(22)14-15(20)27-12-8-9(2)26-17(23)13(12)19(14)10-6-4-5-7-11(10)21-18(19)24/h4-7,9H,3,8,20H2,1-2H3,(H,21,24)/t9-,19+/m1/s1.
What are the key properties of ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate?
ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate is sourced from PubChem (CID 6581829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).