1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 55226702

IUPAC1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(N)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-8(2,14)6(16)15-4-3-9(5-15,7(17)18)10(11,12)13/h3-5,14H2,1-2H3,(H,17,18)
InChIKeyCATQJYILJLOTNQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.59
Rot. Bonds2

About 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55226702) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55226702
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(N)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-8(2,14)6(16)15-4-3-9(5-15,7(17)18)10(11,12)13/h3-5,14H2,1-2H3,(H,17,18)
InChIKeyCATQJYILJLOTNQ-UHFFFAOYSA-N
XLogP0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 55150448
1-[3-(Methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226699
1-(3-Aminobutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226700
1-[2-(Ethylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226875
1-[3-(Ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226876
1-[4-(Methylamino)butanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226877
1-[2-[Ethyl(methyl)amino]-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227072
1-[2-Oxo-2-(propylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227082
1-[3-(Methylamino)-3-oxopropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227253
1-[1-(Methylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227257
1-[2-(Cyclopropylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227259
1-Acetyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55228425

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55226702) is 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(C)(N)C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CATQJYILJLOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-8(2,14)6(16)15-4-3-9(5-15,7(17)18)10(11,12)13/h3-5,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).