2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid

C13H22N2O4 — CID 65302425

IUPAC2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,12(18)19)8-10(16)14(3)9-11(17)15-6-4-5-7-15/h4-9H2,1-3H3,(H,18,19)
InChIKeyZLBCDOKHHQZLAV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.57
Rot. Bonds5

About 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid

2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid (PubChem CID 65302425) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
PubChem CID65302425
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,12(18)19)8-10(16)14(3)9-11(17)15-6-4-5-7-15/h4-9H2,1-3H3,(H,18,19)
InChIKeyZLBCDOKHHQZLAV-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302753
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
3-cyclopropyl-3-hydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 156723433
2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 54872948
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid (CID 65302425) is 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid is CN(CC(=O)N1CCCC1)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid?
The InChIKey is ZLBCDOKHHQZLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,12(18)19)8-10(16)14(3)9-11(17)15-6-4-5-7-15/h4-9H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 65302425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).