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

C10H13F3N2O4 — CID 43356392

IUPAC2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O4/c1-14(4-8(17)18)9(19)6-2-7(16)15(3-6)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18)
InChIKeyBQBBMJRHFHRGDM-UHFFFAOYSA-N
MW282.22 g/mol
LogP-0.06
Rot. Bonds4

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

2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 43356392) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID43356392
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H13F3N2O4/c1-14(4-8(17)18)9(19)6-2-7(16)15(3-6)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18)
InChIKeyBQBBMJRHFHRGDM-UHFFFAOYSA-N
XLogP-0.06
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 43356392) is 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is BQBBMJRHFHRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c1-14(4-8(17)18)9(19)6-2-7(16)15(3-6)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 282.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 43356392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).