1-acetyl-3-hydroxypiperidine-3-carboxylic acid

C8H13NO4 — CID 82405569

IUPAC1-acetyl-3-hydroxypiperidine-3-carboxylic acid
SMILESCC(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)
InChIKeyCKOGPKPHDCYLTR-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.56
Rot. Bonds1

About 1-acetyl-3-hydroxypiperidine-3-carboxylic acid

1-acetyl-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 82405569) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-acetyl-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-hydroxypiperidine-3-carboxylic acid
PubChem CID82405569
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-acetyl-3-hydroxypiperidine-3-carboxylic acid
SMILESCC(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)
InChIKeyCKOGPKPHDCYLTR-UHFFFAOYSA-N
XLogP-0.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-acetyl-3-hydroxypiperidine-3-carboxylic acid (CID 82405569) is 1-acetyl-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-acetyl-3-hydroxypiperidine-3-carboxylic acid is CC(=O)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 1-acetyl-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is CKOGPKPHDCYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-acetyl-3-hydroxypiperidine-3-carboxylic acid?
1-acetyl-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 82405569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).