2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid

C13H23NO5 — CID 50853305

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyYHKRUDZVAIDLNI-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 50853305) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
PubChem CID50853305
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyYHKRUDZVAIDLNI-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.88
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-4-yl]oxypropanoic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid (CID 50853305) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid is CC(OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is YHKRUDZVAIDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.88, 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-4-yl]oxypropanoic acid is sourced from PubChem (CID 50853305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).