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

C15H25NO4 — CID 67972545

IUPAC3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESC/C=C/CC1CN(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)/b6-5+
InChIKeyUHJGRQSBTZGRHE-AATRIKPKSA-N
MW283.37 g/mol
LogP2.91
Rot. Bonds3

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

3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 67972545) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID67972545
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESC/C=C/CC1CN(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)/b6-5+
InChIKeyUHJGRQSBTZGRHE-AATRIKPKSA-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-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-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

Related Compounds

1-((Tert-butoxy)carbonyl)-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 22469198
6-[(Dibutylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2884884
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
2-[(3R,4S)-1-[(tert-butoxy)carbonyl]-3-ethenylpiperidin-4-yl]acetic acid
CID 57071930
6-(4-Methylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 3148332
4-(But-3-en-1-yl)-1-((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 53417926
6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
CID 2930708
6-[4-(Ethoxycarbonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2945482
6-(2-methylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
CID 3486606
3-[3-Ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CID 17964987
5-Methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid
CID 18931467
2-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid
CID 19364984

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 67972545) is 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is C/C=C/CC1CN(C(=O)OC(C)(C)C)CCC1C(=O)O.
What is the InChIKey of 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is UHJGRQSBTZGRHE-AATRIKPKSA-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)/b6-5+.
What are the key properties of 3-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
3-[(E)-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-[(E)-but-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67972545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).