4-but-3-enylpiperidine-1,4-dicarboxylic acid

C11H17NO4 — CID 90891505

IUPAC4-but-3-enylpiperidine-1,4-dicarboxylic acid
SMILESC=CCCC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-4-11(9(13)14)5-7-12(8-6-11)10(15)16/h2H,1,3-8H2,(H,13,14)(H,15,16)
InChIKeyHVOAZBALYQGPPI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.80
Rot. Bonds4

About 4-but-3-enylpiperidine-1,4-dicarboxylic acid

4-but-3-enylpiperidine-1,4-dicarboxylic acid (PubChem CID 90891505) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-but-3-enylpiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-but-3-enylpiperidine-1,4-dicarboxylic acid
PubChem CID90891505
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-but-3-enylpiperidine-1,4-dicarboxylic acid
SMILESC=CCCC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-4-11(9(13)14)5-7-12(8-6-11)10(15)16/h2H,1,3-8H2,(H,13,14)(H,15,16)
InChIKeyHVOAZBALYQGPPI-UHFFFAOYSA-N
XLogP1.80
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enylpiperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-but-3-enylpiperidine-1,4-dicarboxylic acid (CID 90891505) is 4-but-3-enylpiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-but-3-enylpiperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-but-3-enylpiperidine-1,4-dicarboxylic acid is C=CCCC1(C(=O)O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-but-3-enylpiperidine-1,4-dicarboxylic acid?
The InChIKey is HVOAZBALYQGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-3-4-11(9(13)14)5-7-12(8-6-11)10(15)16/h2H,1,3-8H2,(H,13,14)(H,15,16).
What are the key properties of 4-but-3-enylpiperidine-1,4-dicarboxylic acid?
4-but-3-enylpiperidine-1,4-dicarboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylpiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 90891505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).