3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid

C8H12F3NO2 — CID 79801710

IUPAC3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-7(6(13)14,8(9,10)11)12-4-2-3-5-12/h2-5H2,1H3,(H,13,14)
InChIKeyIVMSKPVZISKSSV-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.49
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid

3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 79801710) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid
PubChem CID79801710
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-7(6(13)14,8(9,10)11)12-4-2-3-5-12/h2-5H2,1H3,(H,13,14)
InChIKeyIVMSKPVZISKSSV-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride
CID 46736954
2-Methyl-2-(pyrrolidin-1-yl)propanoic acid
CID 22311931
2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(3,3-Difluoropyrrolidin-1-yl)butanoic acid
CID 67321754
2,3,3,3-Tetrafluoro-2-pyrrolidin-1-ylpropanoic acid
CID 67923999
2-[Tert-butyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79269471
2-(3,3-Difluoropyrrolidin-1-yl)acetic acid
CID 89051258
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882
2-[(1-Tert-butyl-4,4-difluoropyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 153412235
(2S)-2-(dibutylamino)-2,3,3,3-tetrafluoropropanoic acid
CID 174824811
2-[Propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61604798
2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanoic acid
CID 61609867

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid (CID 79801710) is 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid is CC(C(=O)O)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is IVMSKPVZISKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-7(6(13)14,8(9,10)11)12-4-2-3-5-12/h2-5H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid?
3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 211.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 79801710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).