dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate

C17H20N2O5 — CID 10936486

IUPACdimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate
SMILESCOC(=O)C1=C(N)O[C@@H]2N(C(=O)OC)c3ccccc3[C@]12C(C)C
InChIInChI=1S/C17H20N2O5/c1-9(2)17-10-7-5-6-8-11(10)19(16(21)23-4)15(17)24-13(18)12(17)14(20)22-3/h5-9,15H,18H2,1-4H3/t15-,17+/m0/s1
InChIKeyPIDHTZYTUGIEQJ-DOTOQJQBSA-N
MW332.36 g/mol
LogP1.87
Rot. Bonds2

About dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate

dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate (PubChem CID 10936486) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate
PubChem CID10936486
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namedimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate
SMILESCOC(=O)C1=C(N)O[C@@H]2N(C(=O)OC)c3ccccc3[C@]12C(C)C
InChIInChI=1S/C17H20N2O5/c1-9(2)17-10-7-5-6-8-11(10)19(16(21)23-4)15(17)24-13(18)12(17)14(20)22-3/h5-9,15H,18H2,1-4H3/t15-,17+/m0/s1
InChIKeyPIDHTZYTUGIEQJ-DOTOQJQBSA-N
XLogP1.87
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (1R,3aR,8bR)-8b-ethyl-2-oxo-1,3a-dihydrofuro[2,3-b]indole-1,4-dicarboxylate
CID 10567629
methyl (3aS,8bS)-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate
CID 10756699
methyl (1S,3aR,8bS)-8b-tert-butyl-1-cyano-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate
CID 23241821
methyl 8b-(2-methylbut-3-en-2-yl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate
CID 85169011
methyl (1R,3aS,8bS)-1-cyano-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate
CID 101118448
3-O,3-O'-diethyl 1-O-methyl 2-(3,3-diethoxyprop-1-ynyl)-2H-indole-1,3,3-tricarboxylate
CID 3328543
5-O'-ethyl 3-O'-methyl (3R)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215547
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
dimethyl (3aS,8bR)-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate
CID 101206326
dimethyl (3R,3aS,9aR)-3-butyl-2-oxo-3a,9a-dihydro-3H-furo[3,2-b]quinoxaline-4,9-dicarboxylate
CID 135019935
(2S)-2-[(2S)-1-methoxycarbonyl-2H-quinolin-2-yl]propanoic acid
CID 102476884
methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886336

Frequently Asked Questions

What is the IUPAC name of dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate?
The IUPAC name of dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate (CID 10936486) is dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate.
What is the SMILES notation for dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate?
The canonical SMILES for dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate is COC(=O)C1=C(N)O[C@@H]2N(C(=O)OC)c3ccccc3[C@]12C(C)C.
What is the InChIKey of dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate?
The InChIKey is PIDHTZYTUGIEQJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-9(2)17-10-7-5-6-8-11(10)19(16(21)23-4)15(17)24-13(18)12(17)14(20)22-3/h5-9,15H,18H2,1-4H3/t15-,17+/m0/s1.
What are the key properties of dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate?
dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3aS,8bR)-2-amino-8b-propan-2-yl-3aH-furo[2,3-b]indole-1,4-dicarboxylate is sourced from PubChem (CID 10936486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).