3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid

C11H13NO4S — CID 143816774

IUPAC3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)c1csc(C2CCCN(C(=O)O)C2)c1
InChIInChI=1S/C11H13NO4S/c13-10(14)8-4-9(17-6-8)7-2-1-3-12(5-7)11(15)16/h4,6-7H,1-3,5H2,(H,13,14)(H,15,16)
InChIKeyWXBDNEXRHDDHSV-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.30
Rot. Bonds2

About 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid

3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid (PubChem CID 143816774) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid
PubChem CID143816774
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)c1csc(C2CCCN(C(=O)O)C2)c1
InChIInChI=1S/C11H13NO4S/c13-10(14)8-4-9(17-6-8)7-2-1-3-12(5-7)11(15)16/h4,6-7H,1-3,5H2,(H,13,14)(H,15,16)
InChIKeyWXBDNEXRHDDHSV-UHFFFAOYSA-N
XLogP2.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid (CID 143816774) is 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid is O=C(O)c1csc(C2CCCN(C(=O)O)C2)c1.
What is the InChIKey of 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid?
The InChIKey is WXBDNEXRHDDHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-10(14)8-4-9(17-6-8)7-2-1-3-12(5-7)11(15)16/h4,6-7H,1-3,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid?
3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carboxythiophen-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 143816774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).