(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid

C5H8FNO2 — CID 10057550

IUPAC(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKeyZIWHMENIDGOELV-IMJSIDKUSA-N
MW133.12 g/mol
LogP-0.23
Rot. Bonds1

About (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid

(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid (PubChem CID 10057550) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid
PubChem CID10057550
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKeyZIWHMENIDGOELV-IMJSIDKUSA-N
XLogP-0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Proline
CID 145742
proline dl-form
CID 614
D-Proline
CID 8988
(2S)-pyrrolidinium-2-carboxylate
CID 6971047
(2R)-pyrrolidinium-2-carboxylate
CID 6971012
Monomethyl proline
CID 6951137
(4R)-4-Fluoro-L-proline
CID 11902999
2-Methylpyrrolidine-2-carboxylic acid
CID 95491
4-Methylproline
CID 352051
(2S)-4-sulfanylidenepyrrolidine-2-carboxylic acid
CID 18632368
2,5-Pyrrolidinedicarboxylic acid
CID 428912
2-Methyl-L-proline
CID 6993664

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid (CID 10057550) is (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid?
The InChIKey is ZIWHMENIDGOELV-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid?
(2S,4S)-4-fluoropyrrolidine-2-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10057550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).