3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C10H11FN2O5 — CID 120529580

IUPAC3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(F)(C(=O)O)C2)on1
InChIInChI=1S/C10H11FN2O5/c1-17-7-4-6(18-12-7)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyDXYWIKURBMHSKU-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.32
Rot. Bonds3

About 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120529580) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120529580
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(F)(C(=O)O)C2)on1
InChIInChI=1S/C10H11FN2O5/c1-17-7-4-6(18-12-7)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyDXYWIKURBMHSKU-UHFFFAOYSA-N
XLogP0.32
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 120529580) is 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is COc1cc(C(=O)N2CCC(F)(C(=O)O)C2)on1.
What is the InChIKey of 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DXYWIKURBMHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-17-7-4-6(18-12-7)8(14)13-3-2-10(11,5-13)9(15)16/h4H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methoxy-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).