(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate

C5H8FNO2 — CID 7023049

IUPAC(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@H]1C[C@H](F)C[NH2+]1
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-IUYQGCFVSA-N
MW133.12 g/mol
LogP-2.59
Rot. Bonds1

About (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate

(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate (PubChem CID 7023049) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate
PubChem CID7023049
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@H]1C[C@H](F)C[NH2+]1
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-IUYQGCFVSA-N
XLogP-2.59
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-2.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 5238478
(2S)-azetidin-1-ium-2-carboxylate
CID 11862171
pyrrolidin-1-ium-2-carboxylate
CID 25246272
sodium cis-(1S,2S)-2-fluorocyclopropane-1-carboxylate
CID 67083304
(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylic acid
CID 23248560
(3S,4aS,9aR)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 40731102
2-[[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]acetate
CID 11902894
(2R,6S)-piperidin-1-ium-2,6-dicarboxylate
CID 86306397
(2R,4R)-1,3-thiazolidin-3-ium-2,4-dicarboxylate
CID 7062204
(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate
CID 26212537
(2S,4R)-N-[(S)-(3,5-difluoro-4-propan-2-ylphenyl)-phenylmethyl]-4-fluoropyrrolidin-1-ium-2-carboxamide
CID 170519071
[(2R,3R,5S)-3,5-difluoropiperidin-1-ium-2-yl]methanol chloride
CID 134827926

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate?
The IUPAC name of (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate (CID 7023049) is (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate is O=C([O-])[C@H]1C[C@H](F)C[NH2+]1.
What is the InChIKey of (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate?
The InChIKey is ZIWHMENIDGOELV-IUYQGCFVSA-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 (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate?
(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate has a molecular weight of 133.12 g/mol, XLogP of -2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 7023049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).