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

C34H53N5O9 — CID 139513690

IUPACmethyl 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
SMILESCOC(=O)C1CC(=O)N(CCNC(=O)C2CC(=O)N(CCNC(=O)C3CC(=O)N(CCC4CCCC(C(=O)OC(C)(C)C)CC4)C3)C2)C1
InChIInChI=1S/C34H53N5O9/c1-34(2,3)48-33(46)23-7-5-6-22(8-9-23)10-13-37-19-24(16-27(37)40)30(43)35-11-14-38-20-25(17-28(38)41)31(44)36-12-15-39-21-26(18-29(39)42)32(45)47-4/h22-26H,5-21H2,1-4H3,(H,35,43)(H,36,44)
InChIKeyFYNOMMASSUPFRZ-UHFFFAOYSA-N
MW675.82 g/mol
LogP0.87
Rot. Bonds13

About 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

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 (PubChem CID 139513690) has the molecular formula C34H53N5O9 and a molecular weight of 675.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID139513690
Molecular FormulaC34H53N5O9
Molecular Weight675.82 g/mol
Exact Mass675.38
IUPAC Namemethyl 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
SMILESCOC(=O)C1CC(=O)N(CCNC(=O)C2CC(=O)N(CCNC(=O)C3CC(=O)N(CCC4CCCC(C(=O)OC(C)(C)C)CC4)C3)C2)C1
InChIInChI=1S/C34H53N5O9/c1-34(2,3)48-33(46)23-7-5-6-22(8-9-23)10-13-37-19-24(16-27(37)40)30(43)35-11-14-38-20-25(17-28(38)41)31(44)36-12-15-39-21-26(18-29(39)42)32(45)47-4/h22-26H,5-21H2,1-4H3,(H,35,43)(H,36,44)
InChIKeyFYNOMMASSUPFRZ-UHFFFAOYSA-N
XLogP0.87
TPSA171.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.82
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 20594915
methyl 1-[2-[[1-[2-[[1-[5-[4-[2-[4-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylcarbamoyl]-2-oxopyrrolidin-1-yl]ethylcarbamoyl]-2-oxopyrrolidin-1-yl]-3-[[4-[2-[4-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylcarbamoyl]-2-oxopyrrolidin-1-yl]ethylcarbamoyl]-2-oxopyrrolidin-1-yl]methyl]-4-methylpentyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130376729
N-(2-aminoethyl)-1-[2-[4-(2-aminoethylcarbamoyl)-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide;deuterio(iodo)methane;methyl 1-[2-[[1-[2-[4-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethylcarbamoyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 159265025
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
1-(2-methoxyethyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119555111
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1CC(=O)N(CCNC(=O)C2CC(=O)N(CCNC(=O)C3CC(=O)N(CCC4CCCC(C(=O)OC(C)(C)C)CC4)C3)C2)C1.
What is the InChIKey of 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?
The InChIKey is FYNOMMASSUPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N5O9/c1-34(2,3)48-33(46)23-7-5-6-22(8-9-23)10-13-37-19-24(16-27(37)40)30(43)35-11-14-38-20-25(17-28(38)41)31(44)36-12-15-39-21-26(18-29(39)42)32(45)47-4/h22-26H,5-21H2,1-4H3,(H,35,43)(H,36,44).
What are the key properties of 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?
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 has a molecular weight of 675.82 g/mol, XLogP of 0.87, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139513690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).