(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid

C8H12FNO5 — CID 174230622

IUPAC(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESCOC[C@@]1(C(=O)O)C[C@@H](F)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c1-15-4-8(6(11)12)2-5(9)3-10(8)7(13)14/h5H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m1/s1
InChIKeyXTFRSQQXQNTUIP-SVGQVSJJSA-N
MW221.18 g/mol
LogP0.18
Rot. Bonds3

About (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 174230622) has the molecular formula C8H12FNO5 and a molecular weight of 221.18 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID174230622
Molecular FormulaC8H12FNO5
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESCOC[C@@]1(C(=O)O)C[C@@H](F)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c1-15-4-8(6(11)12)2-5(9)3-10(8)7(13)14/h5H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m1/s1
InChIKeyXTFRSQQXQNTUIP-SVGQVSJJSA-N
XLogP0.18
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid (CID 174230622) is (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid is COC[C@@]1(C(=O)O)C[C@@H](F)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is XTFRSQQXQNTUIP-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H12FNO5/c1-15-4-8(6(11)12)2-5(9)3-10(8)7(13)14/h5H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 221.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 174230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).