2-(4-fluoropyrrolidin-2-yl)acetic acid

C6H10FNO2 — CID 90916505

IUPAC2-(4-fluoropyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(F)CN1
InChIInChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)
InChIKeyRELUHGZYAOGPIR-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.16
Rot. Bonds2

About 2-(4-fluoropyrrolidin-2-yl)acetic acid

2-(4-fluoropyrrolidin-2-yl)acetic acid (PubChem CID 90916505) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-(4-fluoropyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoropyrrolidin-2-yl)acetic acid
PubChem CID90916505
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-(4-fluoropyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(F)CN1
InChIInChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)
InChIKeyRELUHGZYAOGPIR-UHFFFAOYSA-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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Related Compounds

Homoproline, (+)-
CID 2761541
CID 7014920
CID 7014920
(2R)-2-Pyrrolidineacetic acid
CID 5706675
2-(5-Oxopyrrolidin-2-yl)acetic acid
CID 25098
Homoproline, (A+-)-
CID 123784
Methyl 2-(pyrrolidin-2-yl)acetate
CID 5323862
2-(Pyrrolidin-2-yl)acetic acid hydrochloride
CID 12514707
2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 118727492
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride
CID 2761540
2-methyl-2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 96849169
(2R)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 118727497
(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 118727499

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(4-fluoropyrrolidin-2-yl)acetic acid (CID 90916505) is 2-(4-fluoropyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoropyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-fluoropyrrolidin-2-yl)acetic acid is O=C(O)CC1CC(F)CN1.
What is the InChIKey of 2-(4-fluoropyrrolidin-2-yl)acetic acid?
The InChIKey is RELUHGZYAOGPIR-UHFFFAOYSA-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).
What are the key properties of 2-(4-fluoropyrrolidin-2-yl)acetic acid?
2-(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-(4-fluoropyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 90916505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).