methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid

C9H13F3N2O5 — CID 165456636

IUPACmethyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O3.C2HF3O2/c1-12-7(11)5-9-3-2-8-4-6(9)10;3-2(4,5)1(6)7/h8H,2-5H2,1H3;(H,6,7)
InChIKeyWTWXXLIWMGQIPZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP-0.78
Rot. Bonds2

About methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid

methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid (PubChem CID 165456636) has the molecular formula C9H13F3N2O5 and a molecular weight of 286.21 g/mol. Its IUPAC name is methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid
PubChem CID165456636
Molecular FormulaC9H13F3N2O5
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CN1CCNCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O3.C2HF3O2/c1-12-7(11)5-9-3-2-8-4-6(9)10;3-2(4,5)1(6)7/h8H,2-5H2,1H3;(H,6,7)
InChIKeyWTWXXLIWMGQIPZ-UHFFFAOYSA-N
XLogP-0.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(N-(Trifluoroacetyl)glycyl)glycine methyl ester
CID 136282
Glycine, N-[N-[N-(trifluoroacetyl)glycyl]glycyl]-, methyl ester
CID 533959
1-Methylpiperazine-2,6-dione; trifluoroacetic acid
CID 75481233
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
Ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
CID 23278170
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077
Ethyl 4-(2-trifluoroacetamidoethyl)piperazine-1-acetate
CID 53726615
Ethyl 2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]acetate
CID 57692999
1-Ethylpiperazin-2-one trifluoroacetate salt
CID 66941853
1-Propylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085125
1-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid (CID 165456636) is methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid is COC(=O)CN1CCNCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The InChIKey is WTWXXLIWMGQIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.C2HF3O2/c1-12-7(11)5-9-3-2-8-4-6(9)10;3-2(4,5)1(6)7/h8H,2-5H2,1H3;(H,6,7).
What are the key properties of methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid?
methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid has a molecular weight of 286.21 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopiperazin-1-yl)acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165456636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).