4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid

C15H20N2O4 — CID 65302280

IUPAC4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC(=O)NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)8-12(18)17-10-13(19)16-9-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyFQAGLHPRNJANSN-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.92
Rot. Bonds7

About 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid

4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302280) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302280
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC(=O)NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)8-12(18)17-10-13(19)16-9-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyFQAGLHPRNJANSN-UHFFFAOYSA-N
XLogP0.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(benzylamino)-2-oxoethyl]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

N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546
N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110965255
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
N-benzyl-2-hydrazinylacetamide
CID 15514349
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
N-benzyl-2-(methoxyamino)acetamide
CID 60702706
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302280) is 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCC(=O)NCc1ccccc1)C(=O)O.
What is the InChIKey of 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is FQAGLHPRNJANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,14(20)21)8-12(18)17-10-13(19)16-9-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).