3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid

C17H20F3NO3 — CID 119256395

IUPAC3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20F3NO3/c1-15(2,11-5-4-6-12(9-11)17(18,19)20)13(22)21-8-7-16(3,10-21)14(23)24/h4-6,9H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyGLGYLQQZMTTWOA-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119256395) has the molecular formula C17H20F3NO3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119256395
Molecular FormulaC17H20F3NO3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20F3NO3/c1-15(2,11-5-4-6-12(9-11)17(18,19)20)13(22)21-8-7-16(3,10-21)14(23)24/h4-6,9H,7-8,10H2,1-3H3,(H,23,24)
InChIKeyGLGYLQQZMTTWOA-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-aminophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 80555695
1-[2-(4-bromophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256562
(3S)-3-methyl-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693043
(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124685750
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257583
3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089359
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
1-(3-aminopiperidin-1-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119379948
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
3-methyl-1-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119256136
1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65267054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid (CID 119256395) is 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GLGYLQQZMTTWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c1-15(2,11-5-4-6-12(9-11)17(18,19)20)13(22)21-8-7-16(3,10-21)14(23)24/h4-6,9H,7-8,10H2,1-3H3,(H,23,24).
What are the key properties of 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).