methylcarbamoyloxymethyl 2,2-dimethylpropanoate

C8H15NO4 — CID 126555369

IUPACmethylcarbamoyloxymethyl 2,2-dimethylpropanoate
SMILESCNC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)6(10)12-5-13-7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyIYKXIIZALCDJOW-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.89
Rot. Bonds2

About methylcarbamoyloxymethyl 2,2-dimethylpropanoate

methylcarbamoyloxymethyl 2,2-dimethylpropanoate (PubChem CID 126555369) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methylcarbamoyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethylcarbamoyloxymethyl 2,2-dimethylpropanoate
PubChem CID126555369
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethylcarbamoyloxymethyl 2,2-dimethylpropanoate
SMILESCNC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)6(10)12-5-13-7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyIYKXIIZALCDJOW-UHFFFAOYSA-N
XLogP0.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylcarbamoyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of methylcarbamoyloxymethyl 2,2-dimethylpropanoate (CID 126555369) is methylcarbamoyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for methylcarbamoyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for methylcarbamoyloxymethyl 2,2-dimethylpropanoate is CNC(=O)OCOC(=O)C(C)(C)C.
What is the InChIKey of methylcarbamoyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is IYKXIIZALCDJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)6(10)12-5-13-7(11)9-4/h5H2,1-4H3,(H,9,11).
What are the key properties of methylcarbamoyloxymethyl 2,2-dimethylpropanoate?
methylcarbamoyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 189.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 126555369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).