2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid

C11H17NO7 — CID 174892383

IUPAC2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OC1CCNCC1)C(=O)O
InChIInChI=1S/C11H17NO7/c13-8(14)5-11(18,10(16)17)6-9(15)19-7-1-3-12-4-2-7/h7,12,18H,1-6H2,(H,13,14)(H,16,17)
InChIKeyZEHHBGCLMFNLDT-UHFFFAOYSA-N
MW275.26 g/mol
LogP-1.04
Rot. Bonds6

About 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid

2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid (PubChem CID 174892383) has the molecular formula C11H17NO7 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid
PubChem CID174892383
Molecular FormulaC11H17NO7
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OC1CCNCC1)C(=O)O
InChIInChI=1S/C11H17NO7/c13-8(14)5-11(18,10(16)17)6-9(15)19-7-1-3-12-4-2-7/h7,12,18H,1-6H2,(H,13,14)(H,16,17)
InChIKeyZEHHBGCLMFNLDT-UHFFFAOYSA-N
XLogP-1.04
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
CID 175408310
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);piperazine;dodecahydrate
CID 131801041
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
CID 175295046
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
CID 87975586
2-[2-(2-adamantyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 175096212
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
piperidin-4-yl pentanoate
CID 45091374
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid?
The IUPAC name of 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid (CID 174892383) is 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid.
What is the SMILES notation for 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid?
The canonical SMILES for 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid is O=C(O)CC(O)(CC(=O)OC1CCNCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid?
The InChIKey is ZEHHBGCLMFNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO7/c13-8(14)5-11(18,10(16)17)6-9(15)19-7-1-3-12-4-2-7/h7,12,18H,1-6H2,(H,13,14)(H,16,17).
What are the key properties of 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid?
2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid has a molecular weight of 275.26 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid is sourced from PubChem (CID 174892383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).