[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate

C10H17NO6 — CID 58226144

IUPAC[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate
SMILES[3H]OC(=O)NCOC(=O)COC(=O)C(C)(C)CC
InChIInChI=1S/C10H17NO6/c1-4-10(2,3)8(13)16-5-7(12)17-6-11-9(14)15/h11H,4-6H2,1-3H3,(H,14,15)/i/hT
InChIKeyZOQOEXCRWUGSBP-MNYXATJNSA-N
MW249.26 g/mol
LogP0.73
Rot. Bonds6

About [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate

[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate (PubChem CID 58226144) has the molecular formula C10H17NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate
PubChem CID58226144
Molecular FormulaC10H17NO6
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate
SMILES[3H]OC(=O)NCOC(=O)COC(=O)C(C)(C)CC
InChIInChI=1S/C10H17NO6/c1-4-10(2,3)8(13)16-5-7(12)17-6-11-9(14)15/h11H,4-6H2,1-3H3,(H,14,15)/i/hT
InChIKeyZOQOEXCRWUGSBP-MNYXATJNSA-N
XLogP0.73
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-oxo-3-[2-(tritiooxycarbonylamino)ethoxy]propyl] 2,2-dimethylbutanoate
CID 58226179
[2-oxo-2-[2-(sulfanyloxycarbonylamino)ethoxy]ethyl] 2,2-dimethylbutanoate
CID 58226155
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 129085463
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
[2-(2-adamantyloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 59289706
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methane;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 161322097

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate (CID 58226144) is [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate is [3H]OC(=O)NCOC(=O)COC(=O)C(C)(C)CC.
What is the InChIKey of [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate?
The InChIKey is ZOQOEXCRWUGSBP-MNYXATJNSA-N. The full InChI is InChI=1S/C10H17NO6/c1-4-10(2,3)8(13)16-5-7(12)17-6-11-9(14)15/h11H,4-6H2,1-3H3,(H,14,15)/i/hT.
What are the key properties of [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate?
[2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate has a molecular weight of 249.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(tritiooxycarbonylamino)methoxy]ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 58226144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).