ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate

C13H23NO5 — CID 67520206

IUPACethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C13H23NO5/c1-5-18-10(15)13(6-8-17-9-7-13)14-11(16)19-12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKeyUWGQUMRXZWBOPR-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.62
Rot. Bonds3

About ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate

ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate (PubChem CID 67520206) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
PubChem CID67520206
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C13H23NO5/c1-5-18-10(15)13(6-8-17-9-7-13)14-11(16)19-12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKeyUWGQUMRXZWBOPR-UHFFFAOYSA-N
XLogP1.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 24729717
ethyl 3,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 170909922
ethyl 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 134311846
trans-ethyl (1S,3R)-3-iodo-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 101222822
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonane-3-carboxylate
CID 171936530
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxycyclobutane-1-carboxylate
CID 134303828
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[3-[(E)-1-aminooxybut-1-enyl]-1,5,9-trioxaspiro[5.5]undecan-3-yl]carbamate
CID 166871035
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate?
The IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate (CID 67520206) is ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate is CCOC(=O)C1(NC(=O)OC(C)(C)C)CCOCC1.
What is the InChIKey of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate?
The InChIKey is UWGQUMRXZWBOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-18-10(15)13(6-8-17-9-7-13)14-11(16)19-12(2,3)4/h5-9H2,1-4H3,(H,14,16).
What are the key properties of ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate?
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate is sourced from PubChem (CID 67520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).