3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid

C10H17F3N2O2 — CID 55225240

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
SMILESCN(C)C1CCN(C(CC(=O)O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)7-3-4-15(6-7)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyLEURFSGRBFSVSN-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.03
Rot. Bonds4

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid

3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid (PubChem CID 55225240) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
PubChem CID55225240
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
SMILESCN(C)C1CCN(C(CC(=O)O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)7-3-4-15(6-7)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyLEURFSGRBFSVSN-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid
CID 63068448
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 83824790
4,4,4-trifluoro-3-(3-propoxypiperidin-1-yl)butanoic acid
CID 63075262
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 83825569
3-(2-cyclopentylpyrrolidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 63067625

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid (CID 55225240) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid is CN(C)C1CCN(C(CC(=O)O)C(F)(F)F)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid?
The InChIKey is LEURFSGRBFSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14(2)7-3-4-15(6-7)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid?
3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55225240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).