2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid

C16H29NO3 — CID 116537054

IUPAC2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)11-7-9-17(10-8-11)13(18)12(14(19)20)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,20)
InChIKeyICWPFIOBZCRMDK-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid

2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid (PubChem CID 116537054) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
PubChem CID116537054
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)11-7-9-17(10-8-11)13(18)12(14(19)20)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,20)
InChIKeyICWPFIOBZCRMDK-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid (CID 116537054) is 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid is CC(C)(C)C1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The InChIKey is ICWPFIOBZCRMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)11-7-9-17(10-8-11)13(18)12(14(19)20)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,20).
What are the key properties of 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116537054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).