methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

C11H19NO4 — CID 57415870

IUPACmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyLJEVCFPGOOEUKG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate (PubChem CID 57415870) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
PubChem CID57415870
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyLJEVCFPGOOEUKG-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate (CID 57415870) is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate is COC(=O)C1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
The InChIKey is LJEVCFPGOOEUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14).
What are the key properties of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate?
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 57415870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).