3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C15H25NO4 — CID 67972548

IUPAC3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC=CCC1CN(C(=O)OC(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-5-6-7-11-10-16(9-8-12(11)13(17)18)14(19)20-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyUHJGRQSBTZGRHE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.91
Rot. Bonds3

About 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 67972548) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID67972548
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC=CCC1CN(C(=O)OC(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C15H25NO4/c1-5-6-7-11-10-16(9-8-12(11)13(17)18)14(19)20-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyUHJGRQSBTZGRHE-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'}

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Related Compounds

CID 22469198
CID 22469198
CID 2884884
CID 2884884
CID 21948
CID 21948
CID 57071930
CID 57071930
CID 3148332
CID 3148332
CID 53417926
CID 53417926
CID 2930708
CID 2930708
CID 2945482
CID 2945482
CID 3486606
CID 3486606
CID 17964987
CID 17964987
CID 18931467
CID 18931467
CID 19364984
CID 19364984

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 67972548) is 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC=CCC1CN(C(=O)OC(C)(C)C)CCC1C(=O)O.
What is the InChIKey of 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is UHJGRQSBTZGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-6-7-11-10-16(9-8-12(11)13(17)18)14(19)20-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18).
What are the key properties of 3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
3-but-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-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-2-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67972548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).