methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate

C7H10N2O4 — CID 57348447

IUPACmethyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)/t4-/m1/s1
InChIKeyFNJRVMKCXNKPKH-SCSAIBSYSA-N
MW186.17 g/mol
LogP-1.84
Rot. Bonds2

About methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate

methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate (PubChem CID 57348447) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate
PubChem CID57348447
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)/t4-/m1/s1
InChIKeyFNJRVMKCXNKPKH-SCSAIBSYSA-N
XLogP-1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate (CID 57348447) is methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate is COC(=O)C[C@H]1NC(=O)CNC1=O.
What is the InChIKey of methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate?
The InChIKey is FNJRVMKCXNKPKH-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)/t4-/m1/s1.
What are the key properties of methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate?
methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate has a molecular weight of 186.17 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate is sourced from PubChem (CID 57348447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).