methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate

C9H15NO3 — CID 59811806

IUPACmethyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate
SMILESCNC(=O)C1CC(C)(C(=O)OC)C1
InChIInChI=1S/C9H15NO3/c1-9(8(12)13-3)4-6(5-9)7(11)10-2/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyCQIBSDYDTPUXER-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.32
Rot. Bonds2

About methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate

methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate (PubChem CID 59811806) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate
PubChem CID59811806
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate
SMILESCNC(=O)C1CC(C)(C(=O)OC)C1
InChIInChI=1S/C9H15NO3/c1-9(8(12)13-3)4-6(5-9)7(11)10-2/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyCQIBSDYDTPUXER-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate (CID 59811806) is methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate is CNC(=O)C1CC(C)(C(=O)OC)C1.
What is the InChIKey of methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate?
The InChIKey is CQIBSDYDTPUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(8(12)13-3)4-6(5-9)7(11)10-2/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate?
methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 59811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).