2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid

C13H21F3N2O3 — CID 65265245

IUPAC2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)C1(C(F)(F)F)CCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21F3N2O3/c1-10(2,9(20)21)11(3,4)18-8(19)12(13(14,15)16)5-6-17-7-12/h17H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVQXIHERJLNMGLY-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.53
Rot. Bonds4

About 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid

2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid (PubChem CID 65265245) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
PubChem CID65265245
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)(NC(=O)C1(C(F)(F)F)CCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21F3N2O3/c1-10(2,9(20)21)11(3,4)18-8(19)12(13(14,15)16)5-6-17-7-12/h17H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVQXIHERJLNMGLY-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid (CID 65265245) is 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid is CC(C)(NC(=O)C1(C(F)(F)F)CCNC1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid?
The InChIKey is VQXIHERJLNMGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-10(2,9(20)21)11(3,4)18-8(19)12(13(14,15)16)5-6-17-7-12/h17H,5-7H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid has a molecular weight of 310.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 65265245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).