2-methoxyethyl 4-(methylamino)-4-oxobutanoate

C8H15NO4 — CID 159443764

IUPAC2-methoxyethyl 4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CCC(=O)OCCOC
InChIInChI=1S/C8H15NO4/c1-9-7(10)3-4-8(11)13-6-5-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyIMUARXNSPFFLOH-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds6

About 2-methoxyethyl 4-(methylamino)-4-oxobutanoate

2-methoxyethyl 4-(methylamino)-4-oxobutanoate (PubChem CID 159443764) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-methoxyethyl 4-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(methylamino)-4-oxobutanoate
PubChem CID159443764
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-methoxyethyl 4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CCC(=O)OCCOC
InChIInChI=1S/C8H15NO4/c1-9-7(10)3-4-8(11)13-6-5-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyIMUARXNSPFFLOH-UHFFFAOYSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 4-(methylamino)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(methylamino)-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-(methylamino)-4-oxobutanoate (CID 159443764) is 2-methoxyethyl 4-(methylamino)-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-(methylamino)-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-(methylamino)-4-oxobutanoate is CNC(=O)CCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 4-(methylamino)-4-oxobutanoate?
The InChIKey is IMUARXNSPFFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9-7(10)3-4-8(11)13-6-5-12-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-methoxyethyl 4-(methylamino)-4-oxobutanoate?
2-methoxyethyl 4-(methylamino)-4-oxobutanoate has a molecular weight of 189.21 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 159443764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).