(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid

C5H8FNO3 — CID 121378615

IUPAC(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C5H8FNO3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyQDCAFSTZCLPHFY-DMTCNVIQSA-N
MW149.12 g/mol
LogP-0.32
Rot. Bonds

About (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid

(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 121378615) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID121378615
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C5H8FNO3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyQDCAFSTZCLPHFY-DMTCNVIQSA-N
XLogP-0.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid (CID 121378615) is (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid is O=C(O)N1C[C@@H](F)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is QDCAFSTZCLPHFY-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8FNO3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid?
(3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 149.12 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 121378615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).