2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid

C14H23NO7 — CID 146429037

IUPAC2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid
SMILESCOC(=O)C1CCN(C(=O)COCCOCC(=O)O)C(C)C1
InChIInChI=1S/C14H23NO7/c1-10-7-11(14(19)20-2)3-4-15(10)12(16)8-21-5-6-22-9-13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyJLRYBSTURZXDFK-UHFFFAOYSA-N
MW317.34 g/mol
LogP-0.10
Rot. Bonds8

About 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid

2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid (PubChem CID 146429037) has the molecular formula C14H23NO7 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid
PubChem CID146429037
Molecular FormulaC14H23NO7
Molecular Weight317.34 g/mol
Exact Mass317.15
IUPAC Name2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid
SMILESCOC(=O)C1CCN(C(=O)COCCOCC(=O)O)C(C)C1
InChIInChI=1S/C14H23NO7/c1-10-7-11(14(19)20-2)3-4-15(10)12(16)8-21-5-6-22-9-13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyJLRYBSTURZXDFK-UHFFFAOYSA-N
XLogP-0.10
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid (CID 146429037) is 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid is COC(=O)C1CCN(C(=O)COCCOCC(=O)O)C(C)C1.
What is the InChIKey of 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid?
The InChIKey is JLRYBSTURZXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO7/c1-10-7-11(14(19)20-2)3-4-15(10)12(16)8-21-5-6-22-9-13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid?
2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid has a molecular weight of 317.34 g/mol, XLogP of -0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid is sourced from PubChem (CID 146429037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).