2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O4 — CID 79264641

IUPAC2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O4/c1-10(2)8(20)15-3-4-17(10)9(21)16(5-7(18)19)6-11(12,13)14/h3-6H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVEGDGWXPQVCDRZ-UHFFFAOYSA-N
MW311.26 g/mol
LogP0.27
Rot. Bonds3

About 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264641) has the molecular formula C11H16F3N3O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264641
Molecular FormulaC11H16F3N3O4
Molecular Weight311.26 g/mol
Exact Mass311.11
IUPAC Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O4/c1-10(2)8(20)15-3-4-17(10)9(21)16(5-7(18)19)6-11(12,13)14/h3-6H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVEGDGWXPQVCDRZ-UHFFFAOYSA-N
XLogP0.27
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264641) is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C)C(=O)NCCN1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VEGDGWXPQVCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4/c1-10(2)8(20)15-3-4-17(10)9(21)16(5-7(18)19)6-11(12,13)14/h3-6H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).