1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid

C10H16FNO2 — CID 166562379

IUPAC1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN([C@@H]2CCC[C@H]2F)C1
InChIInChI=1S/C10H16FNO2/c11-8-2-1-3-9(8)12-5-4-7(6-12)10(13)14/h7-9H,1-6H2,(H,13,14)/t7?,8-,9-/m1/s1
InChIKeyAMFWZNUHALRRMG-CFCGPWAMSA-N
MW201.24 g/mol
LogP1.28
Rot. Bonds2

About 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid

1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid (PubChem CID 166562379) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid
PubChem CID166562379
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN([C@@H]2CCC[C@H]2F)C1
InChIInChI=1S/C10H16FNO2/c11-8-2-1-3-9(8)12-5-4-7(6-12)10(13)14/h7-9H,1-6H2,(H,13,14)/t7?,8-,9-/m1/s1
InChIKeyAMFWZNUHALRRMG-CFCGPWAMSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid (CID 166562379) is 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN([C@@H]2CCC[C@H]2F)C1.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AMFWZNUHALRRMG-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-8-2-1-3-9(8)12-5-4-7(6-12)10(13)14/h7-9H,1-6H2,(H,13,14)/t7?,8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid?
1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166562379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).