3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid

C10H12FN3O2 — CID 154499566

IUPAC3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncccc2F)C1
InChIInChI=1S/C10H12FN3O2/c11-8-2-1-4-12-9(8)13-7-3-5-14(6-7)10(15)16/h1-2,4,7H,3,5-6H2,(H,12,13)(H,15,16)
InChIKeyZOOMKMOZUXYRFU-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.38
Rot. Bonds2

About 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid

3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 154499566) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID154499566
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncccc2F)C1
InChIInChI=1S/C10H12FN3O2/c11-8-2-1-4-12-9(8)13-7-3-5-14(6-7)10(15)16/h1-2,4,7H,3,5-6H2,(H,12,13)(H,15,16)
InChIKeyZOOMKMOZUXYRFU-UHFFFAOYSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid (CID 154499566) is 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ncccc2F)C1.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is ZOOMKMOZUXYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-2-1-4-12-9(8)13-7-3-5-14(6-7)10(15)16/h1-2,4,7H,3,5-6H2,(H,12,13)(H,15,16).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid?
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).