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

C14H25NO2 — CID 83198145

IUPAC2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
SMILESC=C(CC)CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-5-11(2)9-15-8-6-7-12(10-15)14(3,4)13(16)17/h12H,2,5-10H2,1,3-4H3,(H,16,17)
InChIKeyHYDRLUSSVRKRGS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.78
Rot. Bonds5

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

2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid (PubChem CID 83198145) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
PubChem CID83198145
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
SMILESC=C(CC)CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-5-11(2)9-15-8-6-7-12(10-15)14(3,4)13(16)17/h12H,2,5-10H2,1,3-4H3,(H,16,17)
InChIKeyHYDRLUSSVRKRGS-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-[1-(2-methylidenebutyl)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-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
CID 112590712
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
2-methyl-2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]propanoic acid
CID 103090497
2-[1-[(1-hydroxycyclohexyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198071
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107263626
2-[1-(4-cyanobutyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198148
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid (CID 83198145) is 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid is C=C(CC)CN1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid?
The InChIKey is HYDRLUSSVRKRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-11(2)9-15-8-6-7-12(10-15)14(3,4)13(16)17/h12H,2,5-10H2,1,3-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.78, 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-(2-methylidenebutyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).