2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid

C10H16F3N3O3 — CID 79804920

IUPAC2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid
SMILESCC(N)(C(=O)N1CCN(CC(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c1-9(14,10(11,12)13)8(19)16-4-2-15(3-5-16)6-7(17)18/h2-6,14H2,1H3,(H,17,18)
InChIKeyYJGHUNCZZUZRFZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.51
Rot. Bonds3

About 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid

2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid (PubChem CID 79804920) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid
PubChem CID79804920
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid
SMILESCC(N)(C(=O)N1CCN(CC(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c1-9(14,10(11,12)13)8(19)16-4-2-15(3-5-16)6-7(17)18/h2-6,14H2,1H3,(H,17,18)
InChIKeyYJGHUNCZZUZRFZ-UHFFFAOYSA-N
XLogP-0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid (CID 79804920) is 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid is CC(N)(C(=O)N1CCN(CC(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid?
The InChIKey is YJGHUNCZZUZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-9(14,10(11,12)13)8(19)16-4-2-15(3-5-16)6-7(17)18/h2-6,14H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid?
2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid has a molecular weight of 283.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 79804920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).