methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate

C20H33NO5 — CID 102587027

IUPACmethyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1
InChIInChI=1S/C20H33NO5/c1-4-26-17(22)10-8-12-20(19(24)25-3)11-7-9-16(20)15(2)18(23)21-13-5-6-14-21/h15-16H,4-14H2,1-3H3
InChIKeyPJWBDZCEEGAQEZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.94
Rot. Bonds8

About methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate

methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate (PubChem CID 102587027) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate
PubChem CID102587027
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Namemethyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1
InChIInChI=1S/C20H33NO5/c1-4-26-17(22)10-8-12-20(19(24)25-3)11-7-9-16(20)15(2)18(23)21-13-5-6-14-21/h15-16H,4-14H2,1-3H3
InChIKeyPJWBDZCEEGAQEZ-UHFFFAOYSA-N
XLogP2.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
diethyl 2-[(4,4-difluorocyclohexyl)amino]hexanedioate
CID 178021188
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
ethyl 4-piperidin-1-ylbutanoate
CID 14044356

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate (CID 102587027) is methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate is CCOC(=O)CCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1.
What is the InChIKey of methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is PJWBDZCEEGAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-4-26-17(22)10-8-12-20(19(24)25-3)11-7-9-16(20)15(2)18(23)21-13-5-6-14-21/h15-16H,4-14H2,1-3H3.
What are the key properties of methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate?
methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102587027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).