3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C10H13F3N2O4 — CID 43354914

IUPAC3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)5-15-4-6(3-7(15)16)9(19)14-2-1-8(17)18/h6H,1-5H2,(H,14,19)(H,17,18)
InChIKeyPWHQFBDRJQOXKL-UHFFFAOYSA-N
MW282.22 g/mol
LogP-0.01
Rot. Bonds5

About 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 43354914) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID43354914
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)5-15-4-6(3-7(15)16)9(19)14-2-1-8(17)18/h6H,1-5H2,(H,14,19)(H,17,18)
InChIKeyPWHQFBDRJQOXKL-UHFFFAOYSA-N
XLogP-0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 43354914) is 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is PWHQFBDRJQOXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c11-10(12,13)5-15-4-6(3-7(15)16)9(19)14-2-1-8(17)18/h6H,1-5H2,(H,14,19)(H,17,18).
What are the key properties of 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 282.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43354914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).