3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C15H25NO4 — CID 58293277

IUPAC3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESC=CC(C)C1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyKPQPHSJNRLPASK-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.91
Rot. Bonds3

About 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 58293277) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID58293277
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESC=CC(C)C1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyKPQPHSJNRLPASK-UHFFFAOYSA-N
XLogP2.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic 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 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 58293277) is 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is C=CC(C)C1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is KPQPHSJNRLPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-11(2)15(12(17)18)8-7-9-16(10-15)13(19)20-14(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,17,18).
What are the key properties of 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 58293277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).