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

C13H23NO5 — CID 66563732

IUPAC2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(COCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-6-4-10(5-7-14)8-18-9-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyRMOWOSXWBRLZKT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.73
Rot. Bonds4

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

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 66563732) 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]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid
PubChem CID66563732
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(COCC(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-6-4-10(5-7-14)8-18-9-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyRMOWOSXWBRLZKT-UHFFFAOYSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.73
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]methoxy]acetic acid?
The IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid (CID 66563732) is 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid is CC(C)(C)OC(=O)N1CCC(COCC(=O)O)CC1.
What is the InChIKey of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid?
The InChIKey is RMOWOSXWBRLZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-6-4-10(5-7-14)8-18-9-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid?
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 1.73, 4 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]methoxy]acetic acid is sourced from PubChem (CID 66563732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).