2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid

C15H29NO2 — CID 83199298

IUPAC2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid
SMILESCC(C)CC(C)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-11(2)9-12(3)16-8-6-7-13(10-16)15(4,5)14(17)18/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyBEMRAMMNCVHWNW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid (PubChem CID 83199298) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid
PubChem CID83199298
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid
SMILESCC(C)CC(C)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-11(2)9-12(3)16-8-6-7-13(10-16)15(4,5)14(17)18/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyBEMRAMMNCVHWNW-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-but-3-en-2-ylpiperidin-3-yl)-2-methylpropanoic acid
CID 83198227
2-[1-(1-cyanoethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197149
2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 83198222
2-[1-[1-(4-bromophenyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199158
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
CID 83198680
2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
CID 83198545
2-[1-(4-cyanobutyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198148
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid (CID 83199298) is 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid is CC(C)CC(C)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid?
The InChIKey is BEMRAMMNCVHWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)9-12(3)16-8-6-7-13(10-16)15(4,5)14(17)18/h11-13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).