2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid

C13H22N2O4 — CID 106317949

IUPAC2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-12(2,11(18)19)7-9(16)15-6-5-13(3,8-15)10(17)14-4/h5-8H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyDCUKOVNSCSGVQU-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds4

About 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid

2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid (PubChem CID 106317949) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID106317949
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-12(2,11(18)19)7-9(16)15-6-5-13(3,8-15)10(17)14-4/h5-8H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyDCUKOVNSCSGVQU-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-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

3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300164
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158
1-(3-amino-2,2,3-trimethylbutanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318267
N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
CID 106318287
(3S)-1-[2-(4-tert-butylphenoxy)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 100650072
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid (CID 106317949) is 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid is CNC(=O)C1(C)CCN(C(=O)CC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The InChIKey is DCUKOVNSCSGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,11(18)19)7-9(16)15-6-5-13(3,8-15)10(17)14-4/h5-8H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 106317949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).