2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid

C7H12FNO3 — CID 176667446

IUPAC2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid
SMILESCOC1CN(CC(=O)O)CC1F
InChIInChI=1S/C7H12FNO3/c1-12-6-3-9(2-5(6)8)4-7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyONIYROUGBQKMNM-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.26
Rot. Bonds3

About 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid

2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid (PubChem CID 176667446) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid
PubChem CID176667446
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid
SMILESCOC1CN(CC(=O)O)CC1F
InChIInChI=1S/C7H12FNO3/c1-12-6-3-9(2-5(6)8)4-7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyONIYROUGBQKMNM-UHFFFAOYSA-N
XLogP-0.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid (CID 176667446) is 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid is COC1CN(CC(=O)O)CC1F.
What is the InChIKey of 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid?
The InChIKey is ONIYROUGBQKMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-12-6-3-9(2-5(6)8)4-7(10)11/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid?
2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid has a molecular weight of 177.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxypyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 176667446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).