4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid

C8H14N2O5 — CID 28746166

IUPAC4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid
SMILESCOCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-15-5-4-9-8(14)10-6(11)2-3-7(12)13/h2-5H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyFHGHMUJKEYMADW-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.68
Rot. Bonds6

About 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid

4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 28746166) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID28746166
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid
SMILESCOCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-15-5-4-9-8(14)10-6(11)2-3-7(12)13/h2-5H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyFHGHMUJKEYMADW-UHFFFAOYSA-N
XLogP-0.68
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid 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 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid (CID 28746166) is 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid is COCCNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is FHGHMUJKEYMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-15-5-4-9-8(14)10-6(11)2-3-7(12)13/h2-5H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid?
4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 28746166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).