2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid

C6H10FNO2 — CID 90889812

IUPAC2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(F)CN1
InChIInChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4?,5-/m1/s1
InChIKeyRELUHGZYAOGPIR-BRJRFNKRSA-N
MW147.15 g/mol
LogP0.16
Rot. Bonds2

About 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid

2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid (PubChem CID 90889812) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid
PubChem CID90889812
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(F)CN1
InChIInChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4?,5-/m1/s1
InChIKeyRELUHGZYAOGPIR-BRJRFNKRSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid (CID 90889812) is 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid is O=C(O)C[C@H]1CC(F)CN1.
What is the InChIKey of 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid?
The InChIKey is RELUHGZYAOGPIR-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4?,5-/m1/s1.
What are the key properties of 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid?
2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid has a molecular weight of 147.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-fluoropyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 90889812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).