(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C6H10FNO3 — CID 90464998

IUPAC(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11)/t4-,5+/m0/s1
InChIKeyZXYSFQJPPWOZPK-CRCLSJGQSA-N
MW163.15 g/mol
LogP0.07
Rot. Bonds1

About (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 90464998) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID90464998
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11)/t4-,5+/m0/s1
InChIKeyZXYSFQJPPWOZPK-CRCLSJGQSA-N
XLogP0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 90464998) is (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1C[C@@H](F)C[C@@H]1CO.
What is the InChIKey of (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZXYSFQJPPWOZPK-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3H2,(H,10,11)/t4-,5+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90464998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).