4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid

C7H10FNO4 — CID 89239690

IUPAC4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1CC(F)CN1C(=O)O
InChIInChI=1S/C7H10FNO4/c1-13-6(10)5-2-4(8)3-9(5)7(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWJMNBEPSOQRFFL-UHFFFAOYSA-N
MW191.16 g/mol
LogP0.25
Rot. Bonds1

About 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid

4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid (PubChem CID 89239690) has the molecular formula C7H10FNO4 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid
PubChem CID89239690
Molecular FormulaC7H10FNO4
Molecular Weight191.16 g/mol
Exact Mass191.06
IUPAC Name4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1CC(F)CN1C(=O)O
InChIInChI=1S/C7H10FNO4/c1-13-6(10)5-2-4(8)3-9(5)7(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWJMNBEPSOQRFFL-UHFFFAOYSA-N
XLogP0.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid (CID 89239690) is 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid is COC(=O)C1CC(F)CN1C(=O)O.
What is the InChIKey of 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
The InChIKey is WJMNBEPSOQRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO4/c1-13-6(10)5-2-4(8)3-9(5)7(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid?
4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid has a molecular weight of 191.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxycarbonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89239690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).