4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C15H19NO5 — CID 65300204

IUPAC4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC(=O)C(NC(=O)CC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-15(2,14(19)20)9-11(17)16-12(13(18)21-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyPUNGGHXFONXNBA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.52
Rot. Bonds6

About 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300204) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300204
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC(=O)C(NC(=O)CC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-15(2,14(19)20)9-11(17)16-12(13(18)21-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyPUNGGHXFONXNBA-UHFFFAOYSA-N
XLogP1.52
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-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

methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
CID 103018116
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
CID 10778083
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65300204) is 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is COC(=O)C(NC(=O)CC(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is PUNGGHXFONXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,14(19)20)9-11(17)16-12(13(18)21-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).