2-(methylamino)ethyl 2-methoxyacetate

C6H13NO3 — CID 23093561

IUPAC2-(methylamino)ethyl 2-methoxyacetate
SMILESCNCCOC(=O)COC
InChIInChI=1S/C6H13NO3/c1-7-3-4-10-6(8)5-9-2/h7H,3-5H2,1-2H3
InChIKeyGVBVVKJPNJOVCD-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.60
Rot. Bonds5

About 2-(methylamino)ethyl 2-methoxyacetate

2-(methylamino)ethyl 2-methoxyacetate (PubChem CID 23093561) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(methylamino)ethyl 2-methoxyacetate.

Molecular Properties

Compound Name2-(methylamino)ethyl 2-methoxyacetate
PubChem CID23093561
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(methylamino)ethyl 2-methoxyacetate
SMILESCNCCOC(=O)COC
InChIInChI=1S/C6H13NO3/c1-7-3-4-10-6(8)5-9-2/h7H,3-5H2,1-2H3
InChIKeyGVBVVKJPNJOVCD-UHFFFAOYSA-N
XLogP-0.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl 2-methoxyacetate?
The IUPAC name of 2-(methylamino)ethyl 2-methoxyacetate (CID 23093561) is 2-(methylamino)ethyl 2-methoxyacetate.
What is the SMILES notation for 2-(methylamino)ethyl 2-methoxyacetate?
The canonical SMILES for 2-(methylamino)ethyl 2-methoxyacetate is CNCCOC(=O)COC.
What is the InChIKey of 2-(methylamino)ethyl 2-methoxyacetate?
The InChIKey is GVBVVKJPNJOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-3-4-10-6(8)5-9-2/h7H,3-5H2,1-2H3.
What are the key properties of 2-(methylamino)ethyl 2-methoxyacetate?
2-(methylamino)ethyl 2-methoxyacetate has a molecular weight of 147.17 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl 2-methoxyacetate is sourced from PubChem (CID 23093561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).