4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C15H26N2O4 — CID 43578415

IUPAC4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N1CCCC1C(=O)N(C)C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-7-11(17)13(19)16(4)5/h10-11H,6-9H2,1-5H3,(H,20,21)
InChIKeyMHOATGANKHYMGW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.20
Rot. Bonds5

About 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43578415) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43578415
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N1CCCC1C(=O)N(C)C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-7-11(17)13(19)16(4)5/h10-11H,6-9H2,1-5H3,(H,20,21)
InChIKeyMHOATGANKHYMGW-UHFFFAOYSA-N
XLogP1.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
CID 60948393
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 102725627
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 78958215
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
CID 43437317
N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 86866237
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991376

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 43578415) is 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)N1CCCC1C(=O)N(C)C)C(=O)O.
What is the InChIKey of 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is MHOATGANKHYMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-7-11(17)13(19)16(4)5/h10-11H,6-9H2,1-5H3,(H,20,21).
What are the key properties of 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43578415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).