methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate

C15H25NO3 — CID 115184337

IUPACmethyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CCC2CCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-16(11-8-12-6-3-4-7-12)13(17)15(9-5-10-15)14(18)19-2/h12H,3-11H2,1-2H3
InChIKeyRSYFCQVGZBUMBC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds5

About methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate

methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate (PubChem CID 115184337) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
PubChem CID115184337
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CCC2CCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-16(11-8-12-6-3-4-7-12)13(17)15(9-5-10-15)14(18)19-2/h12H,3-11H2,1-2H3
InChIKeyRSYFCQVGZBUMBC-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
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-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184272
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185155
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 115184467
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
2-cyclobutylethyl(methyl)carbamothioic S-acid
CID 115170497
1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184517
N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate (CID 115184337) is methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate is COC(=O)C1(C(=O)N(C)CCC2CCCC2)CCC1.
What is the InChIKey of methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
The InChIKey is RSYFCQVGZBUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16(11-8-12-6-3-4-7-12)13(17)15(9-5-10-15)14(18)19-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate?
methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 115184337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).