4-acetyloxypiperidine-1-carboxylic acid

C8H13NO4 — CID 19976089

IUPAC4-acetyloxypiperidine-1-carboxylic acid
SMILESCC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO4/c1-6(10)13-7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyPTSBEZUPBDGITJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds1

About 4-acetyloxypiperidine-1-carboxylic acid

4-acetyloxypiperidine-1-carboxylic acid (PubChem CID 19976089) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-acetyloxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-acetyloxypiperidine-1-carboxylic acid
PubChem CID19976089
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-acetyloxypiperidine-1-carboxylic acid
SMILESCC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO4/c1-6(10)13-7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyPTSBEZUPBDGITJ-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyloxypiperidine-1-carboxylic acid?
The IUPAC name of 4-acetyloxypiperidine-1-carboxylic acid (CID 19976089) is 4-acetyloxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-acetyloxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-acetyloxypiperidine-1-carboxylic acid is CC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-acetyloxypiperidine-1-carboxylic acid?
The InChIKey is PTSBEZUPBDGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)13-7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-acetyloxypiperidine-1-carboxylic acid?
4-acetyloxypiperidine-1-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxypiperidine-1-carboxylic acid is sourced from PubChem (CID 19976089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).