(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H12F3N3O2 — CID 122063636

IUPAC(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1nccnc1N1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1
InChIInChI=1S/C11H12F3N3O2/c1-6-9(16-3-2-15-6)17-4-7(10(18)19)8(5-17)11(12,13)14/h2-3,7-8H,4-5H2,1H3,(H,18,19)/t7-,8-/m1/s1
InChIKeyAYTYJBWOCDATLO-HTQZYQBOSA-N
MW275.23 g/mol
LogP1.48
Rot. Bonds2

About (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 122063636) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID122063636
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1nccnc1N1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1
InChIInChI=1S/C11H12F3N3O2/c1-6-9(16-3-2-15-6)17-4-7(10(18)19)8(5-17)11(12,13)14/h2-3,7-8H,4-5H2,1H3,(H,18,19)/t7-,8-/m1/s1
InChIKeyAYTYJBWOCDATLO-HTQZYQBOSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 122063636) is (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cc1nccnc1N1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1.
What is the InChIKey of (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AYTYJBWOCDATLO-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6-9(16-3-2-15-6)17-4-7(10(18)19)8(5-17)11(12,13)14/h2-3,7-8H,4-5H2,1H3,(H,18,19)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122063636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).