methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate

C11H17NO3 — CID 176757714

IUPACmethyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)12-9(13)7-5-6-8(7)10(14)15-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyKNHXANHEDKNZPD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds2

About methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate

methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate (PubChem CID 176757714) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate
PubChem CID176757714
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)12-9(13)7-5-6-8(7)10(14)15-4/h5-6H2,1-4H3,(H,12,13)
InChIKeyKNHXANHEDKNZPD-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate?
The IUPAC name of methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate (CID 176757714) is methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate.
What is the SMILES notation for methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate?
The canonical SMILES for methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate is COC(=O)C1=C(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate?
The InChIKey is KNHXANHEDKNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)12-9(13)7-5-6-8(7)10(14)15-4/h5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate?
methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylcarbamoyl)cyclobutene-1-carboxylate is sourced from PubChem (CID 176757714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).