4-(2-ethoxyethylamino)-4-oxobutanoic acid

C8H15NO4 — CID 43591134

IUPAC4-(2-ethoxyethylamino)-4-oxobutanoic acid
SMILESCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-2-13-6-5-9-7(10)3-4-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyJZBQPSIISDKCTE-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.00
Rot. Bonds7

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

4-(2-ethoxyethylamino)-4-oxobutanoic acid (PubChem CID 43591134) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-4-oxobutanoic acid
PubChem CID43591134
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-(2-ethoxyethylamino)-4-oxobutanoic acid
SMILESCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-2-13-6-5-9-7(10)3-4-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyJZBQPSIISDKCTE-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(2-ethoxyethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-ethoxyethylamino)-4-oxobutanoic acid (CID 43591134) is 4-(2-ethoxyethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-ethoxyethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-ethoxyethylamino)-4-oxobutanoic acid is CCOCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-(2-ethoxyethylamino)-4-oxobutanoic acid?
The InChIKey is JZBQPSIISDKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-13-6-5-9-7(10)3-4-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-(2-ethoxyethylamino)-4-oxobutanoic acid?
4-(2-ethoxyethylamino)-4-oxobutanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43591134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).