3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid

C12H23NO2 — CID 164650528

IUPAC3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
SMILESCC1CCCN(C(C)(C)CC(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-13(10(9)2)12(3,4)8-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyHERZAMQGYFISIV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds3

About 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid

3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid (PubChem CID 164650528) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
PubChem CID164650528
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
SMILESCC1CCCN(C(C)(C)CC(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-13(10(9)2)12(3,4)8-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyHERZAMQGYFISIV-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
N-(cyanomethyl)-2-(2,3-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62122873
3-methyl-3-(3-methylazetidin-1-yl)butanoic acid
CID 79694178
3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
CID 64528337
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330
2-amino-5-(2,3-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 55040235
3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
CID 130863448
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178
3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62211352
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid (CID 164650528) is 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid is CC1CCCN(C(C)(C)CC(=O)O)C1C.
What is the InChIKey of 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid?
The InChIKey is HERZAMQGYFISIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-5-7-13(10(9)2)12(3,4)8-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid?
3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 164650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).