3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid

C8H12N2O4 — CID 99868064

IUPAC3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid
SMILESCN1CC(=O)N[C@H](CCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-10-4-6(11)9-5(8(10)14)2-3-7(12)13/h5H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m1/s1
InChIKeyRGVFGSOCLGEYCW-RXMQYKEDSA-N
MW200.19 g/mol
LogP-1.19
Rot. Bonds3

About 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid

3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid (PubChem CID 99868064) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid
PubChem CID99868064
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid
SMILESCN1CC(=O)N[C@H](CCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-10-4-6(11)9-5(8(10)14)2-3-7(12)13/h5H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m1/s1
InChIKeyRGVFGSOCLGEYCW-RXMQYKEDSA-N
XLogP-1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10350960
3-[(6S)-5,8-dioxo-3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-6-yl]propanoic acid
CID 169441260
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CID 112757978
3-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
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3-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid (CID 99868064) is 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid is CN1CC(=O)N[C@H](CCC(=O)O)C1=O.
What is the InChIKey of 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid?
The InChIKey is RGVFGSOCLGEYCW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-10-4-6(11)9-5(8(10)14)2-3-7(12)13/h5H,2-4H2,1H3,(H,9,11)(H,12,13)/t5-/m1/s1.
What are the key properties of 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid?
3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-methyl-3,6-dioxopiperazin-2-yl]propanoic acid is sourced from PubChem (CID 99868064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).