1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid

C13H23NO3 — CID 114421662

IUPAC1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-13(3,4)12(17)14-7-6-9(2)8-10(14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyATUGCXPGJMWJMM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds3

About 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid

1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421662) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421662
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(C)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-13(3,4)12(17)14-7-6-9(2)8-10(14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyATUGCXPGJMWJMM-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749
4-methyl-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 114421327
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130557857
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421662) is 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid is CCC(C)(C)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is ATUGCXPGJMWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-13(3,4)12(17)14-7-6-9(2)8-10(14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid?
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 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)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).