2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid

C8H14N2O4 — CID 2051421

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H14N2O4/c11-6-5-9-1-3-10(4-2-9)7(12)8(13)14/h11H,1-6H2,(H,13,14)
InChIKeyABBUFXWJBRTBBA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.79
Rot. Bonds2

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid (PubChem CID 2051421) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid
PubChem CID2051421
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H14N2O4/c11-6-5-9-1-3-10(4-2-9)7(12)8(13)14/h11H,1-6H2,(H,13,14)
InChIKeyABBUFXWJBRTBBA-UHFFFAOYSA-N
XLogP-1.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)acetic Acid
CID 2050656
2-Hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 6480488
2-Hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone
CID 6482970
(4-Methylpiperazin-1-yl)(oxo)acetic acid
CID 2051411
1,4-Piperazinediacetic acid, 2-oxo-
CID 11106762
1,4-Bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
2,2'-(2,5-Dioxopiperazine-1,4-diyl)diacetic acid
CID 23510852
11-Oxo-1,4,7,10-tetraazabicyclo[8.2.2]tetradecane-4,7-diacetic Acid
CID 125310511
[2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 155797915
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175087939
2-(4-Ethyl-2,3-dioxopiperazin-1-yl)acetic acid
CID 20747005
1-Ethyl-4-(2-hydroxyethyl)piperazine-2,3-dione
CID 43509714

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid (CID 2051421) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid is O=C(O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid?
The InChIKey is ABBUFXWJBRTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-6-5-9-1-3-10(4-2-9)7(12)8(13)14/h11H,1-6H2,(H,13,14).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid has a molecular weight of 202.21 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 2051421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).