methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate

C24H32N2O4 — CID 167042231

IUPACmethyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1c(C)n([C@H](C)C2CC3(NC(=O)OC(C)(C)C)CCC23)c2ccccc12
InChIInChI=1S/C24H32N2O4/c1-14(17-13-24(12-11-18(17)24)25-22(28)30-23(3,4)5)26-15(2)20(21(27)29-6)16-9-7-8-10-19(16)26/h7-10,14,17-18H,11-13H2,1-6H3,(H,25,28)/t14-,17?,18?,24?/m1/s1
InChIKeyDJWXOJADKXXYPJ-DFDFJYRRSA-N
MW412.53 g/mol
LogP4.99
Rot. Bonds4

About methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate

methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate (PubChem CID 167042231) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate
PubChem CID167042231
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namemethyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1c(C)n([C@H](C)C2CC3(NC(=O)OC(C)(C)C)CCC23)c2ccccc12
InChIInChI=1S/C24H32N2O4/c1-14(17-13-24(12-11-18(17)24)25-22(28)30-23(3,4)5)26-15(2)20(21(27)29-6)16-9-7-8-10-19(16)26/h7-10,14,17-18H,11-13H2,1-6H3,(H,25,28)/t14-,17?,18?,24?/m1/s1
InChIKeyDJWXOJADKXXYPJ-DFDFJYRRSA-N
XLogP4.99
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[(1R)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-2-methylindole-3-carboxylate
CID 156561596
methyl 1-[(1S)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-2-methylindole-3-carboxylate
CID 156562021
methyl 2-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]indole-3-carboxylate
CID 175400731
methyl 1-[1-[4-[(3,3-difluorocyclobutyl)amino]cyclohexyl]ethyl]-2-methylindole-3-carboxylate
CID 156540397
methyl 1-[1-[1-(2,2-difluoroacetyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindole-3-carboxylate
CID 122458447
methyl 2-methyl-1-[(1R)-1-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]ethyl]indole-3-carboxylate
CID 156562017
methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
CID 142590019
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 66811845
2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxylic acid
CID 126648800
2-methyl-1-[(1R)-1-[5-(phenylmethoxycarbonylamino)-1,3-dioxan-2-yl]ethyl]indole-3-carboxylic acid
CID 155095118
methyl 1-[[4-[3-(difluoromethoxy)azetidin-1-yl]cyclohexyl]methyl]-2-methylindole-3-carboxylate
CID 167042152
tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
CID 22633915

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate?
The IUPAC name of methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate (CID 167042231) is methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate is COC(=O)c1c(C)n([C@H](C)C2CC3(NC(=O)OC(C)(C)C)CCC23)c2ccccc12.
What is the InChIKey of methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate?
The InChIKey is DJWXOJADKXXYPJ-DFDFJYRRSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-14(17-13-24(12-11-18(17)24)25-22(28)30-23(3,4)5)26-15(2)20(21(27)29-6)16-9-7-8-10-19(16)26/h7-10,14,17-18H,11-13H2,1-6H3,(H,25,28)/t14-,17?,18?,24?/m1/s1.
What are the key properties of methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate?
methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-[(1R)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.0]hexanyl]ethyl]indole-3-carboxylate is sourced from PubChem (CID 167042231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).