methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate

C13H21NO3 — CID 115184272

IUPACmethyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)C2CCCC2)CCC1
InChIInChI=1S/C13H21NO3/c1-14(10-6-3-4-7-10)11(15)13(8-5-9-13)12(16)17-2/h10H,3-9H2,1-2H3
InChIKeyGKIFCZARHRBVHP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.73
Rot. Bonds3

About methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate

methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate (PubChem CID 115184272) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
PubChem CID115184272
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)C2CCCC2)CCC1
InChIInChI=1S/C13H21NO3/c1-14(10-6-3-4-7-10)11(15)13(8-5-9-13)12(16)17-2/h10H,3-9H2,1-2H3
InChIKeyGKIFCZARHRBVHP-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097310
1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095220
methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184337
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035315
methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
CID 115247275
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80597435
N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184029
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
CID 115293762
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167
1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126

Frequently Asked Questions

What is the IUPAC name of methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate (CID 115184272) is methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate is COC(=O)C1(C(=O)N(C)C2CCCC2)CCC1.
What is the InChIKey of methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The InChIKey is GKIFCZARHRBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(10-6-3-4-7-10)11(15)13(8-5-9-13)12(16)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 115184272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).