3-(butanoyloxymethyl)piperidine-1-carboxylic acid

C11H19NO4 — CID 19081025

IUPAC3-(butanoyloxymethyl)piperidine-1-carboxylic acid
SMILESCCCC(=O)OCC1CCCN(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-4-10(13)16-8-9-5-3-6-12(7-9)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMDYHYGXLOLOEJJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds4

About 3-(butanoyloxymethyl)piperidine-1-carboxylic acid

3-(butanoyloxymethyl)piperidine-1-carboxylic acid (PubChem CID 19081025) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(butanoyloxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(butanoyloxymethyl)piperidine-1-carboxylic acid
PubChem CID19081025
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(butanoyloxymethyl)piperidine-1-carboxylic acid
SMILESCCCC(=O)OCC1CCCN(C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-4-10(13)16-8-9-5-3-6-12(7-9)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMDYHYGXLOLOEJJ-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
CID 155071696
(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
CID 54001407
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
(3S)-3-(methylsulfanylcarbothioyloxymethyl)pyrrolidine-1-carboxylic acid
CID 121256324
2-cyclopentylethyl butanoate
CID 142409115
tert-butyl 3-[(3-ethoxy-3-oxopropoxy)methyl]piperidine-1-carboxylate
CID 54043690
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981

Frequently Asked Questions

What is the IUPAC name of 3-(butanoyloxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(butanoyloxymethyl)piperidine-1-carboxylic acid (CID 19081025) is 3-(butanoyloxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(butanoyloxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(butanoyloxymethyl)piperidine-1-carboxylic acid is CCCC(=O)OCC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(butanoyloxymethyl)piperidine-1-carboxylic acid?
The InChIKey is MDYHYGXLOLOEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-4-10(13)16-8-9-5-3-6-12(7-9)11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-(butanoyloxymethyl)piperidine-1-carboxylic acid?
3-(butanoyloxymethyl)piperidine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoyloxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 19081025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).