[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate

C10H19NO4 — CID 88882926

IUPAC[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate
SMILESCNC(=O)OC(OC(=O)C(C)C)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(12)14-9(7(3)4)15-10(13)11-5/h6-7,9H,1-5H3,(H,11,13)
InChIKeyZWCYSOSFCRETHP-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.52
Rot. Bonds4

About [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate

[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate (PubChem CID 88882926) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate
PubChem CID88882926
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate
SMILESCNC(=O)OC(OC(=O)C(C)C)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(12)14-9(7(3)4)15-10(13)11-5/h6-7,9H,1-5H3,(H,11,13)
InChIKeyZWCYSOSFCRETHP-UHFFFAOYSA-N
XLogP1.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.52
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 [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate?
The IUPAC name of [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate (CID 88882926) is [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate.
What is the SMILES notation for [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate?
The canonical SMILES for [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate is CNC(=O)OC(OC(=O)C(C)C)C(C)C.
What is the InChIKey of [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate?
The InChIKey is ZWCYSOSFCRETHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)8(12)14-9(7(3)4)15-10(13)11-5/h6-7,9H,1-5H3,(H,11,13).
What are the key properties of [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate?
[2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate has a molecular weight of 217.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(methylcarbamoyloxy)propyl] 2-methylpropanoate is sourced from PubChem (CID 88882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).