3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid

C12H21NO3 — CID 107069721

IUPAC3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-8(2)11(14)13-7-5-6-9(3)10(13)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyYDUWCSBGJLYXOA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid

3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid (PubChem CID 107069721) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
PubChem CID107069721
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-8(2)11(14)13-7-5-6-9(3)10(13)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyYDUWCSBGJLYXOA-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid (CID 107069721) is 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid is CCC(C)C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid?
The InChIKey is YDUWCSBGJLYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-8(2)11(14)13-7-5-6-9(3)10(13)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107069721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).