(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid

C9H13F3N2O3 — CID 130430276

IUPAC(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CC(=O)N1[C@H](C)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-5-3-13(8(16)17)4-7(15)14(5)6(2)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,16,17)/t5-,6-/m1/s1
InChIKeyUHWWLGKBYSYOPP-PHDIDXHHSA-N
MW254.21 g/mol
LogP1.15
Rot. Bonds1

About (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid

(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid (PubChem CID 130430276) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid
PubChem CID130430276
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CC(=O)N1[C@H](C)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-5-3-13(8(16)17)4-7(15)14(5)6(2)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,16,17)/t5-,6-/m1/s1
InChIKeyUHWWLGKBYSYOPP-PHDIDXHHSA-N
XLogP1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid (CID 130430276) is (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid is C[C@@H]1CN(C(=O)O)CC(=O)N1[C@H](C)C(F)(F)F.
What is the InChIKey of (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid?
The InChIKey is UHWWLGKBYSYOPP-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-5-3-13(8(16)17)4-7(15)14(5)6(2)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,16,17)/t5-,6-/m1/s1.
What are the key properties of (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid?
(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 130430276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).