3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid

C14H25NO5 — CID 67598807

IUPAC3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)CC1(O)CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(18)10-14(19)5-8-15(9-6-14)7-4-11(16)17/h19H,4-10H2,1-3H3,(H,16,17)
InChIKeyXCHYACVTIAKYSM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.02
Rot. Bonds5

About 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid

3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid (PubChem CID 67598807) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid
PubChem CID67598807
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)CC1(O)CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(18)10-14(19)5-8-15(9-6-14)7-4-11(16)17/h19H,4-10H2,1-3H3,(H,16,17)
InChIKeyXCHYACVTIAKYSM-UHFFFAOYSA-N
XLogP1.02
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid (CID 67598807) is 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid is CC(C)(C)OC(=O)CC1(O)CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid?
The InChIKey is XCHYACVTIAKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)20-12(18)10-14(19)5-8-15(9-6-14)7-4-11(16)17/h19H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid?
3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 67598807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).