1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid

C9H13F3N2O3 — CID 79810562

IUPAC1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-2-5(4-14)6(15)16/h5H,2-4,13H2,1H3,(H,15,16)
InChIKeyFZBZZQOBPZELFE-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.20
Rot. Bonds2

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

1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 79810562) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID79810562
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-2-5(4-14)6(15)16/h5H,2-4,13H2,1H3,(H,15,16)
InChIKeyFZBZZQOBPZELFE-UHFFFAOYSA-N
XLogP0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid (CID 79810562) is 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid is CC(N)(C(=O)N1CCC(C(=O)O)C1)C(F)(F)F.
What is the InChIKey of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FZBZZQOBPZELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-2-5(4-14)6(15)16/h5H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79810562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).