3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid

C11H13FN2O5 — CID 119258835

IUPAC3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)no1
InChIInChI=1S/C11H13FN2O5/c1-18-5-7-4-8(13-19-7)9(15)14-3-2-11(12,6-14)10(16)17/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyKQVUCHXHYUJGHF-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.46
Rot. Bonds4

About 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119258835) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119258835
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)no1
InChIInChI=1S/C11H13FN2O5/c1-18-5-7-4-8(13-19-7)9(15)14-3-2-11(12,6-14)10(16)17/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyKQVUCHXHYUJGHF-UHFFFAOYSA-N
XLogP0.46
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119258835) is 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid is COCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)no1.
What is the InChIKey of 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KQVUCHXHYUJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5/c1-18-5-7-4-8(13-19-7)9(15)14-3-2-11(12,6-14)10(16)17/h4H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 272.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).