3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid

C13H25NO2 — CID 65068571

IUPAC3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-5-11(10(2)3)14-8-6-7-13(4,9-14)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyMBRBJJJTROJPOO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid

3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid (PubChem CID 65068571) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
PubChem CID65068571
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
SMILESCCC(C(C)C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-5-11(10(2)3)14-8-6-7-13(4,9-14)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyMBRBJJJTROJPOO-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
CID 107321408
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 55164154
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189
1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid (CID 65068571) is 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid is CCC(C(C)C)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid?
The InChIKey is MBRBJJJTROJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-11(10(2)3)14-8-6-7-13(4,9-14)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65068571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).