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

C10H18N2O4 — CID 2051425

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16)
InChIKeyNZOSAPDTJDBHFA-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.01
Rot. Bonds5

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

4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid (PubChem CID 2051425) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid
PubChem CID2051425
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16)
InChIKeyNZOSAPDTJDBHFA-UHFFFAOYSA-N
XLogP-1.01
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylpiperazin-1-yl)-4-oxobutanoic acid
CID 739318
4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
CID 851827
4-(Morpholin-4-yl)-4-oxobutanoic acid
CID 225378
4-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-oxobutanoic acid
CID 6420659
4-[Bis(2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 13643396
N-[[2-Morpholino]ethyl]succinamic acid
CID 567610
4-(4-(2-Fluoroethyl)piperazin-1-yl)-4-oxobutanoic acid
CID 121201945
4-(4-Formylpiperazin-1-yl)-4-oxobutanoic acid
CID 7326209
4-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]-4-oxobutanoate
CID 2051424
4,4'-(Piperazine-1,4-diyl)bis(4-oxobutanoic acid)
CID 10379232
4-Oxo-4-(4-propylpiperazin-1-yl)butanoic acid
CID 16788315
4-(4-Ethylpiperazin-1-yl)-4-oxobutanoic acid
CID 16789576

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid (CID 2051425) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid?
The InChIKey is NZOSAPDTJDBHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 2051425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).