2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid

C11H21NO4 — CID 43529310

IUPAC2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCOC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(5-2,10(14)15)8-9(13)12-6-7-16-3/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySCXRCZYSLSOYKN-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds8

About 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid

2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid (PubChem CID 43529310) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
PubChem CID43529310
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCOC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-11(5-2,10(14)15)8-9(13)12-6-7-16-3/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySCXRCZYSLSOYKN-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-4-(2-methoxyethylamino)-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

Related Compounds

2,2-diethyl-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
CID 54867533
2,2-diethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759072
2,2-diethyl-4-[(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 54867747
2,2-diethyl-4-oxo-4-(pent-4-ynylamino)butanoic acid
CID 103206484
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
CID 113470258
2,2-diethyl-4-(3-methylbut-2-enylamino)-4-oxobutanoic acid
CID 103517333
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
CID 79377280

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid (CID 43529310) is 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid is CCC(CC)(CC(=O)NCCOC)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid?
The InChIKey is SCXRCZYSLSOYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-11(5-2,10(14)15)8-9(13)12-6-7-16-3/h4-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid?
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43529310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).