methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate

C9H15NO4 — CID 115185096

IUPACmethyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
SMILESCCN(C)C(=O)C1(C(=O)OC)COC1
InChIInChI=1S/C9H15NO4/c1-4-10(2)7(11)9(5-14-6-9)8(12)13-3/h4-6H2,1-3H3
InChIKeyXTOIQHFSUFIOND-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.35
Rot. Bonds3

About methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate

methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate (PubChem CID 115185096) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
PubChem CID115185096
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
SMILESCCN(C)C(=O)C1(C(=O)OC)COC1
InChIInChI=1S/C9H15NO4/c1-4-10(2)7(11)9(5-14-6-9)8(12)13-3/h4-6H2,1-3H3
InChIKeyXTOIQHFSUFIOND-UHFFFAOYSA-N
XLogP-0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate (CID 115185096) is methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate is CCN(C)C(=O)C1(C(=O)OC)COC1.
What is the InChIKey of methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The InChIKey is XTOIQHFSUFIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-10(2)7(11)9(5-14-6-9)8(12)13-3/h4-6H2,1-3H3.
What are the key properties of methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate?
methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate is sourced from PubChem (CID 115185096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).