methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate

C29H45N5O7 — CID 130382477

IUPACmethyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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(CCC4CCCCCC4)C3)C2)C1
InChIInChI=1S/C29H45N5O7/c1-41-29(40)23-16-26(37)34(19-23)13-10-31-28(39)22-15-25(36)33(18-22)12-9-30-27(38)21-14-24(35)32(17-21)11-8-20-6-4-2-3-5-7-20/h20-23H,2-19H2,1H3,(H,30,38)(H,31,39)
InChIKeySXONOLRCEBIIBM-UHFFFAOYSA-N
MW575.71 g/mol
LogP0.30
Rot. Bonds12

About methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 130382477) has the molecular formula C29H45N5O7 and a molecular weight of 575.71 g/mol. Its IUPAC name is methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID130382477
Molecular FormulaC29H45N5O7
Molecular Weight575.71 g/mol
Exact Mass575.33
IUPAC Namemethyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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(CCC4CCCCCC4)C3)C2)C1
InChIInChI=1S/C29H45N5O7/c1-41-29(40)23-16-26(37)34(19-23)13-10-31-28(39)22-15-25(36)33(18-22)12-9-30-27(38)21-14-24(35)32(17-21)11-8-20-6-4-2-3-5-7-20/h20-23H,2-19H2,1H3,(H,30,38)(H,31,39)
InChIKeySXONOLRCEBIIBM-UHFFFAOYSA-N
XLogP0.30
TPSA145.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.71
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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-[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
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-[[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
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
methyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
1-(2-methoxyethyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119555111
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate (CID 130382477) is methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-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-cycloheptylethyl)-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-cycloheptylethyl)-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(CCC4CCCCCC4)C3)C2)C1.
What is the InChIKey of methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SXONOLRCEBIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N5O7/c1-41-29(40)23-16-26(37)34(19-23)13-10-31-28(39)22-15-25(36)33(18-22)12-9-30-27(38)21-14-24(35)32(17-21)11-8-20-6-4-2-3-5-7-20/h20-23H,2-19H2,1H3,(H,30,38)(H,31,39).
What are the key properties of methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 575.71 g/mol, XLogP of 0.30, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 130382477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).