1-(methylcarbamoyloxy)ethyl 2-methylpropanoate

C8H15NO4 — CID 87794296

IUPAC1-(methylcarbamoyloxy)ethyl 2-methylpropanoate
SMILESCNC(=O)OC(C)OC(=O)C(C)C
InChIInChI=1S/C8H15NO4/c1-5(2)7(10)12-6(3)13-8(11)9-4/h5-6H,1-4H3,(H,9,11)
InChIKeyWDYVNQXRRJEJSF-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.89
Rot. Bonds3

About 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate

1-(methylcarbamoyloxy)ethyl 2-methylpropanoate (PubChem CID 87794296) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name1-(methylcarbamoyloxy)ethyl 2-methylpropanoate
PubChem CID87794296
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-(methylcarbamoyloxy)ethyl 2-methylpropanoate
SMILESCNC(=O)OC(C)OC(=O)C(C)C
InChIInChI=1S/C8H15NO4/c1-5(2)7(10)12-6(3)13-8(11)9-4/h5-6H,1-4H3,(H,9,11)
InChIKeyWDYVNQXRRJEJSF-UHFFFAOYSA-N
XLogP0.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate?
The IUPAC name of 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate (CID 87794296) is 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate.
What is the SMILES notation for 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate?
The canonical SMILES for 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate is CNC(=O)OC(C)OC(=O)C(C)C.
What is the InChIKey of 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate?
The InChIKey is WDYVNQXRRJEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)7(10)12-6(3)13-8(11)9-4/h5-6H,1-4H3,(H,9,11).
What are the key properties of 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate?
1-(methylcarbamoyloxy)ethyl 2-methylpropanoate has a molecular weight of 189.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamoyloxy)ethyl 2-methylpropanoate is sourced from PubChem (CID 87794296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).