2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

C11H19NO6 — CID 171573311

IUPAC2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCC(C)(C)OC(=O)NCCOCC(=O)OCC=O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-4-6-16-8-9(14)17-7-5-13/h5H,4,6-8H2,1-3H3,(H,12,15)
InChIKeyXFOOUSLTLXPRAN-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.27
Rot. Bonds7

About 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (PubChem CID 171573311) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.

Molecular Properties

Compound Name2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
PubChem CID171573311
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCC(C)(C)OC(=O)NCCOCC(=O)OCC=O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-4-6-16-8-9(14)17-7-5-13/h5H,4,6-8H2,1-3H3,(H,12,15)
InChIKeyXFOOUSLTLXPRAN-UHFFFAOYSA-N
XLogP0.27
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
CID 178134904
tert-butyl N-[2-(2-sulfonylethoxy)ethyl]carbamate
CID 86652903
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The IUPAC name of 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (CID 171573311) is 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.
What is the SMILES notation for 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The canonical SMILES for 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is CC(C)(C)OC(=O)NCCOCC(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The InChIKey is XFOOUSLTLXPRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-4-6-16-8-9(14)17-7-5-13/h5H,4,6-8H2,1-3H3,(H,12,15).
What are the key properties of 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate has a molecular weight of 261.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is sourced from PubChem (CID 171573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).