(3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid

C15H23N3O3 — CID 124692021

About (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124692021) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 124692021
• Molecular Formula: C15H23N3O3
• Molecular Weight: 293.37 g/mol
• Exact Mass: 293.17
• IUPAC Name: (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
• SMILES: Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C15H23N3O3/c1-9(7-13-10(2)16-17(4)11(13)3)14(19)18-6-5-12(8-18)15(20)21/h9,12H,5-8H2,1-4H3,(H,20,21)/t9-,12+/m0/s1
• InChIKey: AQWIEEBTVHFAJY-JOYOIKCWSA-N
• XLogP: 1.15
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.37
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 124692021) is (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid is Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@@H](C(=O)O)C1.

What is the InChIKey of (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?

The InChIKey is AQWIEEBTVHFAJY-JOYOIKCWSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(7-13-10(2)16-17(4)11(13)3)14(19)18-6-5-12(8-18)15(20)21/h9,12H,5-8H2,1-4H3,(H,20,21)/t9-,12+/m0/s1.

What are the key properties of (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid?

(3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124692021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).