5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid

C10H17NO4 — CID 43085222

IUPAC5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H17NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15)
InChIKeyQPPHMLHODVSBIT-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.22
Rot. Bonds4

About 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid

5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 43085222) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid
PubChem CID43085222
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H17NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15)
InChIKeyQPPHMLHODVSBIT-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid (CID 43085222) is 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC(O)CC1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is QPPHMLHODVSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15).
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid?
5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 43085222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).