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

C10H13F3N2O4 — CID 54991016

IUPAC(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C10H13F3N2O4/c1-5(9(18)19)14-8(17)6-2-7(16)15(3-6)4-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)(H,18,19)/t5-,6?/m1/s1
InChIKeyYOHYJMZKAZPNGN-LWOQYNTDSA-N
MW282.22 g/mol
LogP-0.01
Rot. Bonds4

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

(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 54991016) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID54991016
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C10H13F3N2O4/c1-5(9(18)19)14-8(17)6-2-7(16)15(3-6)4-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)(H,18,19)/t5-,6?/m1/s1
InChIKeyYOHYJMZKAZPNGN-LWOQYNTDSA-N
XLogP-0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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

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Related Compounds

Methyl 2-methyl-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 53503024
(2S)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-3-methyl-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 66980186
(2S)-1-[3-(difluoromethyl)-4-oxo-4-(propylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 70573101
2-[[4-(1-Carboxyethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]propanoic acid
CID 87438760
(2S)-2-[[4-[[(1S)-1-carboxyethyl]amino]-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]propanoic acid
CID 87438763
4-(1-Carboxyethylamino)-4-oxo-2-(trifluoromethyl)butanoic acid
CID 88768629
4-[[(1S)-1-carboxyethyl]amino]-4-oxo-2-(trifluoromethyl)butanoic acid
CID 88768632
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 129213637
2-(3-Aminopropanoylamino)-3-methylbutanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 157928496
2-[[2-[Acetyl(trifluoromethyl)amino]-3-methylbutanoyl]amino]acetic acid
CID 174763344
N-methyl-1-(3-methyl-1-oxobutan-2-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175719360
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 43170580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 54991016) is (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is C[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is YOHYJMZKAZPNGN-LWOQYNTDSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c1-5(9(18)19)14-8(17)6-2-7(16)15(3-6)4-10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)(H,18,19)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
(2R)-2-[[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, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 54991016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).