3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid

C14H16N2O5 — CID 82346597

IUPAC3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
SMILESCOc1ccccc1N1CC(=O)N(CCC(=O)O)C(=O)C1
InChIInChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)15-8-12(17)16(13(18)9-15)7-6-14(19)20/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyWOROIEFWKGWZNM-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.35
Rot. Bonds5

About 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid

3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid (PubChem CID 82346597) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
PubChem CID82346597
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
SMILESCOc1ccccc1N1CC(=O)N(CCC(=O)O)C(=O)C1
InChIInChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)15-8-12(17)16(13(18)9-15)7-6-14(19)20/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyWOROIEFWKGWZNM-UHFFFAOYSA-N
XLogP0.35
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]ethanethioamide
CID 82346944
3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanoic acid
CID 10849046
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
3-benzhydrylidene-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione;hydrate;dihydrochloride
CID 163342817
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one
CID 9033998
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
9-acetyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 11201573
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 54755411
2-[4-(2,3-dimethylphenyl)-2,6-dioxopiperazin-1-yl]acetic acid
CID 82346513

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid (CID 82346597) is 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid is COc1ccccc1N1CC(=O)N(CCC(=O)O)C(=O)C1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid?
The InChIKey is WOROIEFWKGWZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)15-8-12(17)16(13(18)9-15)7-6-14(19)20/h2-5H,6-9H2,1H3,(H,19,20).
What are the key properties of 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid?
3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid is sourced from PubChem (CID 82346597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).