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

C13H24N2O3 — CID 55165506

IUPAC3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYSDGHFGIGXJPTM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds4

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

3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 55165506) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID55165506
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYSDGHFGIGXJPTM-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136898
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid (CID 55165506) is 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid is CCC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is YSDGHFGIGXJPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(2)8-14-12(18)15-7-5-6-13(3,9-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55165506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).