1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid

C9H10FN3O3 — CID 104605835

IUPAC1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1ncc(F)cn1
InChIInChI=1S/C9H10FN3O3/c10-5-2-11-9(12-3-5)13-4-6(14)1-7(13)8(15)16/h2-3,6-7,14H,1,4H2,(H,15,16)
InChIKeyXVEAKLCBOPSMTC-UHFFFAOYSA-N
MW227.19 g/mol
LogP-0.36
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 104605835) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID104605835
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1ncc(F)cn1
InChIInChI=1S/C9H10FN3O3/c10-5-2-11-9(12-3-5)13-4-6(14)1-7(13)8(15)16/h2-3,6-7,14H,1,4H2,(H,15,16)
InChIKeyXVEAKLCBOPSMTC-UHFFFAOYSA-N
XLogP-0.36
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-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 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 104605835) is 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XVEAKLCBOPSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c10-5-2-11-9(12-3-5)13-4-6(14)1-7(13)8(15)16/h2-3,6-7,14H,1,4H2,(H,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 227.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104605835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).