methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate

C24H38N2O6 — CID 139513691

IUPACmethyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCCC1CC(CCN2CC(C(=O)OC)CC2=O)CC(CCN2CC(C(=O)OC)CC2=O)C1
InChIInChI=1S/C24H38N2O6/c1-4-16-9-17(5-7-25-14-19(12-21(25)27)23(29)31-2)11-18(10-16)6-8-26-15-20(13-22(26)28)24(30)32-3/h16-20H,4-15H2,1-3H3
InChIKeyXTWUQZUQVAUVMX-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.25
Rot. Bonds9

About methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 139513691) has the molecular formula C24H38N2O6 and a molecular weight of 450.58 g/mol. Its IUPAC name is methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID139513691
Molecular FormulaC24H38N2O6
Molecular Weight450.58 g/mol
Exact Mass450.27
IUPAC Namemethyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCCC1CC(CCN2CC(C(=O)OC)CC2=O)CC(CCN2CC(C(=O)OC)CC2=O)C1
InChIInChI=1S/C24H38N2O6/c1-4-16-9-17(5-7-25-14-19(12-21(25)27)23(29)31-2)11-18(10-16)6-8-26-15-20(13-22(26)28)24(30)32-3/h16-20H,4-15H2,1-3H3
InChIKeyXTWUQZUQVAUVMX-UHFFFAOYSA-N
XLogP2.25
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130382477
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
CID 3023550
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
methyl 1-[2-[[1-[2-[[1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cycloheptyl]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513690

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate (CID 139513691) is methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate is CCC1CC(CCN2CC(C(=O)OC)CC2=O)CC(CCN2CC(C(=O)OC)CC2=O)C1.
What is the InChIKey of methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XTWUQZUQVAUVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O6/c1-4-16-9-17(5-7-25-14-19(12-21(25)27)23(29)31-2)11-18(10-16)6-8-26-15-20(13-22(26)28)24(30)32-3/h16-20H,4-15H2,1-3H3.
What are the key properties of methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 139513691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).