3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid

C14H24N2O4 — CID 106317948

IUPAC3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)CC(C)(C)CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,8-11(18)19)7-10(17)16-6-5-14(3,9-16)12(20)15-4/h5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyFGIWINKDUADARZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds5

About 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid

3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid (PubChem CID 106317948) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
PubChem CID106317948
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)CC(C)(C)CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,8-11(18)19)7-10(17)16-6-5-14(3,9-16)12(20)15-4/h5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyFGIWINKDUADARZ-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
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
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
(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid (CID 106317948) is 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid is CNC(=O)C1(C)CCN(C(=O)CC(C)(C)CC(=O)O)C1.
What is the InChIKey of 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid?
The InChIKey is FGIWINKDUADARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,8-11(18)19)7-10(17)16-6-5-14(3,9-16)12(20)15-4/h5-9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid?
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 106317948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).