methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate

C11H19NO3 — CID 165166779

IUPACmethyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(6-5-7-11)9(14)15-4/h5-7H2,1-4H3,(H,12,13)
InChIKeyWMWGSTKGCPZBRD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds2

About methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate

methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate (PubChem CID 165166779) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
PubChem CID165166779
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(6-5-7-11)9(14)15-4/h5-7H2,1-4H3,(H,12,13)
InChIKeyWMWGSTKGCPZBRD-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate (CID 165166779) is methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate is COC(=O)C1(NC(=O)C(C)(C)C)CCC1.
What is the InChIKey of methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate?
The InChIKey is WMWGSTKGCPZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(6-5-7-11)9(14)15-4/h5-7H2,1-4H3,(H,12,13).
What are the key properties of methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate?
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 165166779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).