(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid

C16H23FN4O3 — CID 164640878

IUPAC(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H23FN4O3/c1-2-3-11-9-21(10-12(11)15(22)23)16-18-8-13(17)14(19-16)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyRALGEVOXIPXSFJ-RYUDHWBXSA-N
MW338.38 g/mol
LogP1.39
Rot. Bonds5

About (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 164640878) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID164640878
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H23FN4O3/c1-2-3-11-9-21(10-12(11)15(22)23)16-18-8-13(17)14(19-16)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyRALGEVOXIPXSFJ-RYUDHWBXSA-N
XLogP1.39
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-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 (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid (CID 164640878) is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid is CCC[C@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is RALGEVOXIPXSFJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-2-3-11-9-21(10-12(11)15(22)23)16-18-8-13(17)14(19-16)20-4-6-24-7-5-20/h8,11-12H,2-7,9-10H2,1H3,(H,22,23)/t11-,12-/m0/s1.
What are the key properties of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164640878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).