4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

C7H12FNO3 — CID 151557973

IUPAC4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(F)CNC(C(=O)O)C1
InChIInChI=1S/C7H12FNO3/c1-12-4-7(8)2-5(6(10)11)9-3-7/h5,9H,2-4H2,1H3,(H,10,11)
InChIKeyQBWOYMZERBKGES-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.21
Rot. Bonds3

About 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 151557973) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID151557973
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(F)CNC(C(=O)O)C1
InChIInChI=1S/C7H12FNO3/c1-12-4-7(8)2-5(6(10)11)9-3-7/h5,9H,2-4H2,1H3,(H,10,11)
InChIKeyQBWOYMZERBKGES-UHFFFAOYSA-N
XLogP-0.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 151557973) is 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid is COCC1(F)CNC(C(=O)O)C1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QBWOYMZERBKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-12-4-7(8)2-5(6(10)11)9-3-7/h5,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid?
4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 177.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 151557973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).