ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate

C13H23NO4 — CID 22080534

IUPACethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(16)13(7-6-8-13)14-9-10(15)18-12(2,3)4/h14H,5-9H2,1-4H3
InChIKeyIBEVRJNVSJFIEU-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.40
Rot. Bonds5

About ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate

ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate (PubChem CID 22080534) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate
PubChem CID22080534
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(16)13(7-6-8-13)14-9-10(15)18-12(2,3)4/h14H,5-9H2,1-4H3
InChIKeyIBEVRJNVSJFIEU-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate (CID 22080534) is ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate is CCOC(=O)C1(NCC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
The InChIKey is IBEVRJNVSJFIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-17-11(16)13(7-6-8-13)14-9-10(15)18-12(2,3)4/h14H,5-9H2,1-4H3.
What are the key properties of ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate?
ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 22080534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).