2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid

C11H20F3N3O2 — CID 55140973

IUPAC2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESCC(N)(CCN1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H20F3N3O2/c1-10(15,9(18)19)2-3-16-4-6-17(7-5-16)8-11(12,13)14/h2-8,15H2,1H3,(H,18,19)
InChIKeyDHDCZHOOIZRZMV-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.36
Rot. Bonds5

About 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid

2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (PubChem CID 55140973) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
PubChem CID55140973
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESCC(N)(CCN1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H20F3N3O2/c1-10(15,9(18)19)2-3-16-4-6-17(7-5-16)8-11(12,13)14/h2-8,15H2,1H3,(H,18,19)
InChIKeyDHDCZHOOIZRZMV-UHFFFAOYSA-N
XLogP0.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (CID 55140973) is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid is CC(N)(CCN1CCN(CC(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The InChIKey is DHDCZHOOIZRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(15,9(18)19)2-3-16-4-6-17(7-5-16)8-11(12,13)14/h2-8,15H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid has a molecular weight of 283.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 55140973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).