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

C12H21NO5 — CID 42614544

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)N1CCCC(OCC(=O)O)C1
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-5-9(7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyYYLYNLCAWXUCDY-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.49
Rot. Bonds3

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid (PubChem CID 42614544) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid
PubChem CID42614544
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)N1CCCC(OCC(=O)O)C1
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-5-9(7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyYYLYNLCAWXUCDY-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid (CID 42614544) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid is CC(C)(C)OC(=O)N1CCCC(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid?
The InChIKey is YYLYNLCAWXUCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-5-9(7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid has a molecular weight of 259.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyacetic acid is sourced from PubChem (CID 42614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).