2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid

C11H17NO4 — CID 63870553

IUPAC2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
SMILESC=CCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-10(13)12-6-4-9(5-7-12)16-8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyGHEPFHVKWSWFQG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.65
Rot. Bonds5

About 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid

2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid (PubChem CID 63870553) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
PubChem CID63870553
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
SMILESC=CCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H17NO4/c1-2-3-10(13)12-6-4-9(5-7-12)16-8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyGHEPFHVKWSWFQG-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
1-(aziridin-1-yl)but-3-en-1-one
CID 170562782
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid (CID 63870553) is 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid is C=CCC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid?
The InChIKey is GHEPFHVKWSWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-3-10(13)12-6-4-9(5-7-12)16-8-11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid?
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 63870553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).