ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate

C11H19NO4 — CID 20779141

IUPACethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(=O)N(C)OC)C1(C)C
InChIInChI=1S/C11H19NO4/c1-6-16-10(14)8-7(11(8,2)3)9(13)12(4)15-5/h7-8H,6H2,1-5H3
InChIKeyMPYJKXHHQJWKCX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.84
Rot. Bonds4

About ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 20779141) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID20779141
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(=O)N(C)OC)C1(C)C
InChIInChI=1S/C11H19NO4/c1-6-16-10(14)8-7(11(8,2)3)9(13)12(4)15-5/h7-8H,6H2,1-5H3
InChIKeyMPYJKXHHQJWKCX-UHFFFAOYSA-N
XLogP0.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 20779141) is ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(C(=O)N(C)OC)C1(C)C.
What is the InChIKey of ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is MPYJKXHHQJWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-16-10(14)8-7(11(8,2)3)9(13)12(4)15-5/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 20779141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).