bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid

C32H38N4O8 — CID 157355328

IUPACbis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.O=C(O)C(=O)O
InChIInChI=1S/2C15H18N2O2.C2H2O4/c2*1-2-19-15(18)9-3-5-13-11(7-9)12-8-10(16)4-6-14(12)17-13;3-1(4)2(5)6/h2*3,5,7,10,17H,2,4,6,8,16H2,1H3;(H,3,4)(H,5,6)
InChIKeyHNAYYJMUSJWMAT-UHFFFAOYSA-N
MW606.68 g/mol
LogP3.48
Rot. Bonds4

About bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid

bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid (PubChem CID 157355328) has the molecular formula C32H38N4O8 and a molecular weight of 606.68 g/mol. Its IUPAC name is bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid.

Molecular Properties

Compound Namebis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid
PubChem CID157355328
Molecular FormulaC32H38N4O8
Molecular Weight606.68 g/mol
Exact Mass606.27
IUPAC Namebis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.O=C(O)C(=O)O
InChIInChI=1S/2C15H18N2O2.C2H2O4/c2*1-2-19-15(18)9-3-5-13-11(7-9)12-8-10(16)4-6-14(12)17-13;3-1(4)2(5)6/h2*3,5,7,10,17H,2,4,6,8,16H2,1H3;(H,3,4)(H,5,6)
InChIKeyHNAYYJMUSJWMAT-UHFFFAOYSA-N
XLogP3.48
TPSA210.82 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 53.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Methyl Carbazole-3-Carboxylate
CID 504069
6,7,8,9-Tetrahydro-5H-carbazole-3-carboxylic acid ethyl ester
CID 827439
ethyl 1-(formylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate
CID 2840515
diethyl 2,3,4,9-tetrahydro-1H-carbazole-1,6-dicarboxylate
CID 4314979
ethyl 9H-carbazole-3-carboxylate
CID 1935506
Diethyl 6-(1,1,2,2,3,3,3-heptafluoropropyl)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 16749417
2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid ethyl ester
CID 44214070
(2-anilino-2-oxoethyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2091364
Methyl 5-[(E)-1,2-diphenylethenyl]-9H-carbazole-3-carboxylate
CID 11618315
2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-hydroxy-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid ethyl ester
CID 44214072
tert-butyl 6,6''-(ethyne-1,2-diyl)bis(9H-carbazole-3-carboxylate)
CID 52944071
methyl 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylate
CID 137656606

Frequently Asked Questions

What is the IUPAC name of bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid?
The IUPAC name of bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid (CID 157355328) is bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid.
What is the SMILES notation for bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid?
The canonical SMILES for bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid is CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.CCOC(=O)c1ccc2[nH]c3c(c2c1)CC(N)CC3.O=C(O)C(=O)O.
What is the InChIKey of bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid?
The InChIKey is HNAYYJMUSJWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O2.C2H2O4/c2*1-2-19-15(18)9-3-5-13-11(7-9)12-8-10(16)4-6-14(12)17-13;3-1(4)2(5)6/h2*3,5,7,10,17H,2,4,6,8,16H2,1H3;(H,3,4)(H,5,6).
What are the key properties of bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid?
bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid has a molecular weight of 606.68 g/mol, XLogP of 3.48, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate);oxalic acid is sourced from PubChem (CID 157355328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).