(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate

C17H24N2O5 — CID 171843630

IUPAC(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)C1(C(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C17H24N2O5/c20-13-7-8-14(21)19(13)24-16(23)17(9-4-10-17)15(22)18-11-12-5-2-1-3-6-12/h12H,1-11H2,(H,18,22)
InChIKeyZFIJHDKRMGTUDE-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.46
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate (PubChem CID 171843630) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
PubChem CID171843630
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)C1(C(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C17H24N2O5/c20-13-7-8-14(21)19(13)24-16(23)17(9-4-10-17)15(22)18-11-12-5-2-1-3-6-12/h12H,1-11H2,(H,18,22)
InChIKeyZFIJHDKRMGTUDE-UHFFFAOYSA-N
XLogP1.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-(cyclohexylmethylamino)-2-oxoethoxy]ethyl]cyclopropen-1-yl]ethoxy]acetate
CID 175632702
N-(cyclopentylmethyl)-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183725
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonylcyclobutanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 171843668
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919567
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate (CID 171843630) is (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate is O=C1CCC(=O)N1OC(=O)C1(C(=O)NCC2CCCCC2)CCC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The InChIKey is ZFIJHDKRMGTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-13-7-8-14(21)19(13)24-16(23)17(9-4-10-17)15(22)18-11-12-5-2-1-3-6-12/h12H,1-11H2,(H,18,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 171843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).