4-(furan-3-yl)piperidine-2-carboxylic acid

C10H13NO3 — CID 82400578

IUPAC4-(furan-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccoc2)CCN1
InChIInChI=1S/C10H13NO3/c12-10(13)9-5-7(1-3-11-9)8-2-4-14-6-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13)
InChIKeyFTOJATXWOHCSKV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.20
Rot. Bonds2

About 4-(furan-3-yl)piperidine-2-carboxylic acid

4-(furan-3-yl)piperidine-2-carboxylic acid (PubChem CID 82400578) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(furan-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(furan-3-yl)piperidine-2-carboxylic acid
PubChem CID82400578
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(furan-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccoc2)CCN1
InChIInChI=1S/C10H13NO3/c12-10(13)9-5-7(1-3-11-9)8-2-4-14-6-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13)
InChIKeyFTOJATXWOHCSKV-UHFFFAOYSA-N
XLogP1.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(furan-3-yl)piperidine-2-carboxylic acid (CID 82400578) is 4-(furan-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(furan-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(furan-3-yl)piperidine-2-carboxylic acid is O=C(O)C1CC(c2ccoc2)CCN1.
What is the InChIKey of 4-(furan-3-yl)piperidine-2-carboxylic acid?
The InChIKey is FTOJATXWOHCSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)9-5-7(1-3-11-9)8-2-4-14-6-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13).
What are the key properties of 4-(furan-3-yl)piperidine-2-carboxylic acid?
4-(furan-3-yl)piperidine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82400578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).