1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H14F3NO4 — CID 63710865

IUPAC1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c1-6(2)18-8(17)14-4-3-9(5-14,7(15)16)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyVXLWVWCFGWGOJP-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.87
Rot. Bonds2

About 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710865) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710865
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c1-6(2)18-8(17)14-4-3-9(5-14,7(15)16)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyVXLWVWCFGWGOJP-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710865) is 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(C)OC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VXLWVWCFGWGOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-6(2)18-8(17)14-4-3-9(5-14,7(15)16)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxycarbonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).