2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate

C10H18N2O8 — CID 175295046

IUPAC2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)ON1CCNCC1)C(=O)O
InChIInChI=1S/C10H16N2O7.H2O/c13-7(14)5-10(18,9(16)17)6-8(15)19-12-3-1-11-2-4-12;/h11,18H,1-6H2,(H,13,14)(H,16,17);1H2
InChIKeyZVZPTZNQLVVZEG-UHFFFAOYSA-N
MW294.26 g/mol
LogP-2.79
Rot. Bonds6

About 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate

2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate (PubChem CID 175295046) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
PubChem CID175295046
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)ON1CCNCC1)C(=O)O
InChIInChI=1S/C10H16N2O7.H2O/c13-7(14)5-10(18,9(16)17)6-8(15)19-12-3-1-11-2-4-12;/h11,18H,1-6H2,(H,13,14)(H,16,17);1H2
InChIKeyZVZPTZNQLVVZEG-UHFFFAOYSA-N
XLogP-2.79
TPSA167.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-2.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

bis(2-hydroxypropane-1,2,3-tricarboxylic acid);piperazine;dodecahydrate
CID 131801041
dipiperazin-1-yl butanedioate
CID 69276754
piperazin-1-yl 3,3-dimethylbutanoate
CID 66914631
2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid
CID 174892383
2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
CID 131842539
CID 131842539
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
CID 158985264
CID 158985264
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate?
The IUPAC name of 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate (CID 175295046) is 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate.
What is the SMILES notation for 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate?
The canonical SMILES for 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate is O.O=C(O)CC(O)(CC(=O)ON1CCNCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate?
The InChIKey is ZVZPTZNQLVVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O7.H2O/c13-7(14)5-10(18,9(16)17)6-8(15)19-12-3-1-11-2-4-12;/h11,18H,1-6H2,(H,13,14)(H,16,17);1H2.
What are the key properties of 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate?
2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate has a molecular weight of 294.26 g/mol, XLogP of -2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate is sourced from PubChem (CID 175295046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).