2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid

C14H16N2O5 — CID 82346834

IUPAC2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CN(c2cccc(O)c2)CC1=O
InChIInChI=1S/C14H16N2O5/c1-2-11(14(20)21)16-12(18)7-15(8-13(16)19)9-4-3-5-10(17)6-9/h3-6,11,17H,2,7-8H2,1H3,(H,20,21)
InChIKeyZOOGYVIOBRJTNW-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid

2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid (PubChem CID 82346834) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid
PubChem CID82346834
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1C(=O)CN(c2cccc(O)c2)CC1=O
InChIInChI=1S/C14H16N2O5/c1-2-11(14(20)21)16-12(18)7-15(8-13(16)19)9-4-3-5-10(17)6-9/h3-6,11,17H,2,7-8H2,1H3,(H,20,21)
InChIKeyZOOGYVIOBRJTNW-UHFFFAOYSA-N
XLogP0.43
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid (CID 82346834) is 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid is CCC(C(=O)O)N1C(=O)CN(c2cccc(O)c2)CC1=O.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid?
The InChIKey is ZOOGYVIOBRJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-2-11(14(20)21)16-12(18)7-15(8-13(16)19)9-4-3-5-10(17)6-9/h3-6,11,17H,2,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid?
2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)-2,6-dioxopiperazin-1-yl]butanoic acid is sourced from PubChem (CID 82346834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).