5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid

C13H23NO3 — CID 63219934

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-7-5-6-13(14,3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyYPGMFTPAQVIBMS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds4

About 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid

5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 63219934) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID63219934
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-7-5-6-13(14,3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyYPGMFTPAQVIBMS-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
5-(4-acetylpiperazin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 60699624
3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63219284
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185565
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
3,3-dimethyl-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 62934719
2-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperazin-1-yl]acetic acid
CID 63218943
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65264074
1-(2,2-dimethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79271799

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid (CID 63219934) is 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)N1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is YPGMFTPAQVIBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-7-5-6-13(14,3)4/h5-9H2,1-4H3,(H,16,17).
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid?
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 63219934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).