5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid

C10H13NO4 — CID 103840627

IUPAC5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(O)CCCNC2)o1
InChIInChI=1S/C10H13NO4/c12-9(13)7-2-3-8(15-7)10(14)4-1-5-11-6-10/h2-3,11,14H,1,4-6H2,(H,12,13)
InChIKeyHXTZOPRQMAKGGI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.55
Rot. Bonds2

About 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid

5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid (PubChem CID 103840627) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
PubChem CID103840627
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(O)CCCNC2)o1
InChIInChI=1S/C10H13NO4/c12-9(13)7-2-3-8(15-7)10(14)4-1-5-11-6-10/h2-3,11,14H,1,4-6H2,(H,12,13)
InChIKeyHXTZOPRQMAKGGI-UHFFFAOYSA-N
XLogP0.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
CID 106945846
N-[2-(3-hydroxypiperidin-3-yl)phenyl]acetamide
CID 83896133
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
3-(4-aminophenyl)piperidin-3-ol
CID 83878179
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
furan-2,5-dicarboxylic acid;indigane
CID 174700126
1-(5-chlorofuran-2-yl)cyclopentan-1-ol
CID 115073903
3-thiophen-3-ylpiperidin-3-ol
CID 65099666
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid (CID 103840627) is 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid is O=C(O)c1ccc(C2(O)CCCNC2)o1.
What is the InChIKey of 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid?
The InChIKey is HXTZOPRQMAKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-9(13)7-2-3-8(15-7)10(14)4-1-5-11-6-10/h2-3,11,14H,1,4-6H2,(H,12,13).
What are the key properties of 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid?
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 103840627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).