(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid

C7H7F3N2O4 — CID 57228268

IUPAC(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)5(14)11-3-1-2-12(4(3)13)6(15)16/h3H,1-2H2,(H,11,14)(H,15,16)/t3-/m0/s1
InChIKeySRRXLBNDZLJZPZ-VKHMYHEASA-N
MW240.14 g/mol
LogP-0.06
Rot. Bonds1

About (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid

(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 57228268) has the molecular formula C7H7F3N2O4 and a molecular weight of 240.14 g/mol. Its IUPAC name is (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID57228268
Molecular FormulaC7H7F3N2O4
Molecular Weight240.14 g/mol
Exact Mass240.04
IUPAC Name(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)5(14)11-3-1-2-12(4(3)13)6(15)16/h3H,1-2H2,(H,11,14)(H,15,16)/t3-/m0/s1
InChIKeySRRXLBNDZLJZPZ-VKHMYHEASA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid (CID 57228268) is (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@H](NC(=O)C(F)(F)F)C1=O.
What is the InChIKey of (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is SRRXLBNDZLJZPZ-VKHMYHEASA-N. The full InChI is InChI=1S/C7H7F3N2O4/c8-7(9,10)5(14)11-3-1-2-12(4(3)13)6(15)16/h3H,1-2H2,(H,11,14)(H,15,16)/t3-/m0/s1.
What are the key properties of (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid?
(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 240.14 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57228268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).