2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate

C11H20BrNO5 — CID 86659550

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(C)OC(=O)NOCCOC(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO5/c1-10(2,3)18-9(15)13-17-7-6-16-8(14)11(4,5)12/h6-7H2,1-5H3,(H,13,15)
InChIKeyDTCNMIGZFKIWDM-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.16
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate

2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate (PubChem CID 86659550) has the molecular formula C11H20BrNO5 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
PubChem CID86659550
Molecular FormulaC11H20BrNO5
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(C)OC(=O)NOCCOC(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO5/c1-10(2,3)18-9(15)13-17-7-6-16-8(14)11(4,5)12/h6-7H2,1-5H3,(H,13,15)
InChIKeyDTCNMIGZFKIWDM-UHFFFAOYSA-N
XLogP2.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
tert-butyl N-(5-phenylpentoxy)carbamate
CID 11536449
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate
CID 118135667
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate (CID 86659550) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate is CC(C)(C)OC(=O)NOCCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate?
The InChIKey is DTCNMIGZFKIWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO5/c1-10(2,3)18-9(15)13-17-7-6-16-8(14)11(4,5)12/h6-7H2,1-5H3,(H,13,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate has a molecular weight of 326.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 86659550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).