ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate

C22H30N2O4 — CID 68888919

IUPACethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c(c2n1[C@H](C)CNC(=O)OC(C)(C)C)CCC3
InChIInChI=1S/C22H30N2O4/c1-6-27-20(25)18-12-16-11-10-15-8-7-9-17(15)19(16)24(18)14(2)13-23-21(26)28-22(3,4)5/h10-12,14H,6-9,13H2,1-5H3,(H,23,26)/t14-/m1/s1
InChIKeyGYQGPHQSESZOJQ-CQSZACIVSA-N
MW386.49 g/mol
LogP4.39
Rot. Bonds5

About ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate

ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate (PubChem CID 68888919) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate
PubChem CID68888919
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Nameethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c(c2n1[C@H](C)CNC(=O)OC(C)(C)C)CCC3
InChIInChI=1S/C22H30N2O4/c1-6-27-20(25)18-12-16-11-10-15-8-7-9-17(15)19(16)24(18)14(2)13-23-21(26)28-22(3,4)5/h10-12,14H,6-9,13H2,1-5H3,(H,23,26)/t14-/m1/s1
InChIKeyGYQGPHQSESZOJQ-CQSZACIVSA-N
XLogP4.39
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-fluoro-6-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415422
ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415715
ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415486
ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69416886
diethyl 7-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2,6-dicarboxylate
CID 175599773
ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415607
ethyl 6-chloro-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 87797333
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 170432275
ethyl 6,7-dimethyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-2-carboxylate
CID 170610188
diethyl 3-chloro-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130357548
methyl 3-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrazole-5-carboxylate
CID 170120050
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146558757

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate?
The IUPAC name of ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate (CID 68888919) is ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate is CCOC(=O)c1cc2ccc3c(c2n1[C@H](C)CNC(=O)OC(C)(C)C)CCC3.
What is the InChIKey of ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate?
The InChIKey is GYQGPHQSESZOJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-6-27-20(25)18-12-16-11-10-15-8-7-9-17(15)19(16)24(18)14(2)13-23-21(26)28-22(3,4)5/h10-12,14H,6-9,13H2,1-5H3,(H,23,26)/t14-/m1/s1.
What are the key properties of ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate?
ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate is sourced from PubChem (CID 68888919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).