4-(3-hydroxypiperidin-1-yl)butanoic acid

C9H17NO3 — CID 61434774

IUPAC4-(3-hydroxypiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c11-8-3-1-5-10(7-8)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyWQPBVSXHTVIDMP-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds4

About 4-(3-hydroxypiperidin-1-yl)butanoic acid

4-(3-hydroxypiperidin-1-yl)butanoic acid (PubChem CID 61434774) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(3-hydroxypiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-hydroxypiperidin-1-yl)butanoic acid
PubChem CID61434774
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(3-hydroxypiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c11-8-3-1-5-10(7-8)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyWQPBVSXHTVIDMP-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-hydroxypiperidin-1-yl)butanoic acid (CID 61434774) is 4-(3-hydroxypiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-hydroxypiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-hydroxypiperidin-1-yl)butanoic acid is O=C(O)CCCN1CCCC(O)C1.
What is the InChIKey of 4-(3-hydroxypiperidin-1-yl)butanoic acid?
The InChIKey is WQPBVSXHTVIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-8-3-1-5-10(7-8)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13).
What are the key properties of 4-(3-hydroxypiperidin-1-yl)butanoic acid?
4-(3-hydroxypiperidin-1-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypiperidin-1-yl)butanoic acid is sourced from PubChem (CID 61434774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).