3-hydroxy-4-piperidin-1-ylbutanoic acid

C9H17NO3 — CID 79006807

IUPAC3-hydroxy-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CC(O)CN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-8(6-9(12)13)7-10-4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13)
InChIKeyDEDVJAVTNSBPGC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds4

About 3-hydroxy-4-piperidin-1-ylbutanoic acid

3-hydroxy-4-piperidin-1-ylbutanoic acid (PubChem CID 79006807) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-piperidin-1-ylbutanoic acid
PubChem CID79006807
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-hydroxy-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CC(O)CN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-8(6-9(12)13)7-10-4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13)
InChIKeyDEDVJAVTNSBPGC-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 3-hydroxy-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 3-hydroxy-4-piperidin-1-ylbutanoic acid (CID 79006807) is 3-hydroxy-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-piperidin-1-ylbutanoic acid is O=C(O)CC(O)CN1CCCCC1.
What is the InChIKey of 3-hydroxy-4-piperidin-1-ylbutanoic acid?
The InChIKey is DEDVJAVTNSBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-8(6-9(12)13)7-10-4-2-1-3-5-10/h8,11H,1-7H2,(H,12,13).
What are the key properties of 3-hydroxy-4-piperidin-1-ylbutanoic acid?
3-hydroxy-4-piperidin-1-ylbutanoic 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 3-hydroxy-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 79006807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).