4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid

C9H15NO4 — CID 16783651

IUPAC4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C9H15NO4/c11-7-3-5-10(6-4-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)
InChIKeyREGMPDHPYKTLDU-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid

4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 16783651) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
PubChem CID16783651
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(O)CC1
InChIInChI=1S/C9H15NO4/c11-7-3-5-10(6-4-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)
InChIKeyREGMPDHPYKTLDU-UHFFFAOYSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid (CID 16783651) is 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is REGMPDHPYKTLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-3-5-10(6-4-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid?
4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 16783651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).