2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

C14H22FNO4 — CID 165483698

IUPAC2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESC=C(F)C1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22FNO4/c1-10(15)14(8-11(17)18)6-5-7-16(9-14)12(19)20-13(2,3)4/h1,5-9H2,2-4H3,(H,17,18)
InChIKeyYWCGECKDHUNZAO-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.96
Rot. Bonds3

About 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (PubChem CID 165483698) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
PubChem CID165483698
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESC=C(F)C1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22FNO4/c1-10(15)14(8-11(17)18)6-5-7-16(9-14)12(19)20-13(2,3)4/h1,5-9H2,2-4H3,(H,17,18)
InChIKeyYWCGECKDHUNZAO-UHFFFAOYSA-N
XLogP2.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (CID 165483698) is 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is C=C(F)C1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The InChIKey is YWCGECKDHUNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4/c1-10(15)14(8-11(17)18)6-5-7-16(9-14)12(19)20-13(2,3)4/h1,5-9H2,2-4H3,(H,17,18).
What are the key properties of 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid has a molecular weight of 287.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 165483698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).