2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

C10H15F3N2O5 — CID 175085687

IUPAC2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c1-7(11)10-4-2-9(3-5-10)6-8(12)13;3-2(4,5)1(6)7/h2-6H2,1H3,(H,12,13);(H,6,7)
InChIKeyYCOPFDUUAXXMAX-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.13
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175085687) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175085687
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c1-7(11)10-4-2-9(3-5-10)6-8(12)13;3-2(4,5)1(6)7/h2-6H2,1H3,(H,12,13);(H,6,7)
InChIKeyYCOPFDUUAXXMAX-UHFFFAOYSA-N
XLogP-0.13
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 175085687) is 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is CC(=O)N1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YCOPFDUUAXXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2HF3O2/c1-7(11)10-4-2-9(3-5-10)6-8(12)13;3-2(4,5)1(6)7/h2-6H2,1H3,(H,12,13);(H,6,7).
What are the key properties of 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 300.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175085687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).