(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid

C12H14FN3O4 — CID 126623189

IUPAC(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)O)n1
InChIInChI=1S/C12H14FN3O4/c1-20-10-4-2-3-9(14-10)15-11(17)8-5-7(13)6-16(8)12(18)19/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,14,15,17)/t7-,8+/m1/s1
InChIKeyXWTWYXFTMUDQIT-SFYZADRCSA-N
MW283.26 g/mol
LogP1.12
Rot. Bonds3

About (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid

(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 126623189) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID126623189
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)O)n1
InChIInChI=1S/C12H14FN3O4/c1-20-10-4-2-3-9(14-10)15-11(17)8-5-7(13)6-16(8)12(18)19/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,14,15,17)/t7-,8+/m1/s1
InChIKeyXWTWYXFTMUDQIT-SFYZADRCSA-N
XLogP1.12
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-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 (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 126623189) is (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid is COc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)O)n1.
What is the InChIKey of (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XWTWYXFTMUDQIT-SFYZADRCSA-N. The full InChI is InChI=1S/C12H14FN3O4/c1-20-10-4-2-3-9(14-10)15-11(17)8-5-7(13)6-16(8)12(18)19/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,14,15,17)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid?
(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126623189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).