2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid

C15H18N2O5 — CID 19753935

IUPAC2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid
SMILESCN1CCN(C(=O)OC(Cc2ccccc2)C(=O)O)CC1=O
InChIInChI=1S/C15H18N2O5/c1-16-7-8-17(10-13(16)18)15(21)22-12(14(19)20)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,19,20)
InChIKeyGNXGSCQPYITXDH-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.59
Rot. Bonds4

About 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid

2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid (PubChem CID 19753935) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid
PubChem CID19753935
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid
SMILESCN1CCN(C(=O)OC(Cc2ccccc2)C(=O)O)CC1=O
InChIInChI=1S/C15H18N2O5/c1-16-7-8-17(10-13(16)18)15(21)22-12(14(19)20)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,19,20)
InChIKeyGNXGSCQPYITXDH-UHFFFAOYSA-N
XLogP0.59
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid?
The IUPAC name of 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid (CID 19753935) is 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid?
The canonical SMILES for 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid is CN1CCN(C(=O)OC(Cc2ccccc2)C(=O)O)CC1=O.
What is the InChIKey of 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid?
The InChIKey is GNXGSCQPYITXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-16-7-8-17(10-13(16)18)15(21)22-12(14(19)20)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid?
2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid has a molecular weight of 306.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid is sourced from PubChem (CID 19753935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).