(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid

C8H12F3N3O3 — CID 71252823

IUPAC(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)[C@H]1CN(C(=O)O)CCN1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)5-3-14(7(16)17)2-1-12-5/h5,12H,1-4H2,(H,13,15)(H,16,17)/t5-/m1/s1
InChIKeyONRZXZMOSULFAC-RXMQYKEDSA-N
MW255.20 g/mol
LogP-0.38
Rot. Bonds2

About (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid

(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid (PubChem CID 71252823) has the molecular formula C8H12F3N3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
PubChem CID71252823
Molecular FormulaC8H12F3N3O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)[C@H]1CN(C(=O)O)CCN1
InChIInChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)5-3-14(7(16)17)2-1-12-5/h5,12H,1-4H2,(H,13,15)(H,16,17)/t5-/m1/s1
InChIKeyONRZXZMOSULFAC-RXMQYKEDSA-N
XLogP-0.38
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid (CID 71252823) is (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid is O=C(NCC(F)(F)F)[C@H]1CN(C(=O)O)CCN1.
What is the InChIKey of (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid?
The InChIKey is ONRZXZMOSULFAC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3N3O3/c9-8(10,11)4-13-6(15)5-3-14(7(16)17)2-1-12-5/h5,12H,1-4H2,(H,13,15)(H,16,17)/t5-/m1/s1.
What are the key properties of (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid?
(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid has a molecular weight of 255.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 71252823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).