1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid

C13H23NO3 — CID 104594792

IUPAC1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-12(2,3)10(15)14-9-7-6-8-13(14,4)11(16)17/h5-9H2,1-4H3,(H,16,17)
InChIKeyHGVFUPMPBRZHCL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid

1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104594792) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104594792
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-12(2,3)10(15)14-9-7-6-8-13(14,4)11(16)17/h5-9H2,1-4H3,(H,16,17)
InChIKeyHGVFUPMPBRZHCL-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597337
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid (CID 104594792) is 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid is CCC(C)(C)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HGVFUPMPBRZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-12(2,3)10(15)14-9-7-6-8-13(14,4)11(16)17/h5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104594792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).