2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid

C7H12FNO2 — CID 115012634

IUPAC2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid
SMILESCC1(F)CCN(CC(=O)O)C1
InChIInChI=1S/C7H12FNO2/c1-7(8)2-3-9(5-7)4-6(10)11/h2-5H2,1H3,(H,10,11)
InChIKeyYKFKRZRPKHNBAZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid

2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid (PubChem CID 115012634) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid
PubChem CID115012634
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid
SMILESCC1(F)CCN(CC(=O)O)C1
InChIInChI=1S/C7H12FNO2/c1-7(8)2-3-9(5-7)4-6(10)11/h2-5H2,1H3,(H,10,11)
InChIKeyYKFKRZRPKHNBAZ-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidin-1-ylacetic acid
CID 414564
2-(Pyrrolidin-1-yl)acetic acid hydrochloride
CID 13022016
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid chloride
CID 10352271
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid
CID 10352272
2-(3-Methylpyrrolidin-1-yl)acetic acid hydrochloride
CID 119031697
2-(3,3-Difluoropyrrolidin-1-yl)acetic acid
CID 89051258
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129322031
2-[(4-Fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 139341792
2-[(1-Tert-butyl-4-fluoropyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 153412246
2-[(4,4-Difluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 154964361
2-[(4-Fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
2-(1-Methylpyrrolidin-1-ium-1-yl)acetate
CID 21578866

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid (CID 115012634) is 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid is CC1(F)CCN(CC(=O)O)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid?
The InChIKey is YKFKRZRPKHNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-7(8)2-3-9(5-7)4-6(10)11/h2-5H2,1H3,(H,10,11).
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid?
2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 115012634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).