[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate

C8H15NO4 — CID 91623533

IUPAC[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCON(C)C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C8H15NO4/c1-6(10)13-8(2,3)7(11)9(4)12-5/h1-5H3
InChIKeyCNXMBQRWHHFVSJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.35
Rot. Bonds3

About [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate

[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 91623533) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID91623533
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCON(C)C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C8H15NO4/c1-6(10)13-8(2,3)7(11)9(4)12-5/h1-5H3
InChIKeyCNXMBQRWHHFVSJ-UHFFFAOYSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.35
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 [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate (CID 91623533) is [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate is CON(C)C(=O)C(C)(C)OC(C)=O.
What is the InChIKey of [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is CNXMBQRWHHFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(10)13-8(2,3)7(11)9(4)12-5/h1-5H3.
What are the key properties of [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate?
[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 189.21 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 [1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 91623533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).