2-fluoropyrrolidine-1-carboxylic acid

C5H8FNO2 — CID 23110189

IUPAC2-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1F
InChIInChI=1S/C5H8FNO2/c6-4-2-1-3-7(4)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyXXQYFSAQDUDCFZ-UHFFFAOYSA-N
MW133.12 g/mol
LogP1.06
Rot. Bonds

About 2-fluoropyrrolidine-1-carboxylic acid

2-fluoropyrrolidine-1-carboxylic acid (PubChem CID 23110189) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-fluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-fluoropyrrolidine-1-carboxylic acid
PubChem CID23110189
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1F
InChIInChI=1S/C5H8FNO2/c6-4-2-1-3-7(4)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyXXQYFSAQDUDCFZ-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
(2S)-2-(dichloromethyl)pyrrolidine-1-carboxylic acid
CID 91422075
2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 126509861
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
2-[2-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 22922479
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-1-carboxylic acid?
The IUPAC name of 2-fluoropyrrolidine-1-carboxylic acid (CID 23110189) is 2-fluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-fluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-fluoropyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1F.
What is the InChIKey of 2-fluoropyrrolidine-1-carboxylic acid?
The InChIKey is XXQYFSAQDUDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4-2-1-3-7(4)5(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of 2-fluoropyrrolidine-1-carboxylic acid?
2-fluoropyrrolidine-1-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 23110189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).