(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide

C10H14F3N3O3 — CID 90165117

IUPAC(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H14F3N3O3/c1-5(15-9(19)10(11,12)13)8(18)16-4-2-3-6(16)7(14)17/h5-6H,2-4H2,1H3,(H2,14,17)(H,15,19)/t5-,6-/m0/s1
InChIKeyZSARTUXRBLRSTG-WDSKDSINSA-N
MW281.23 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide (PubChem CID 90165117) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
PubChem CID90165117
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H14F3N3O3/c1-5(15-9(19)10(11,12)13)8(18)16-4-2-3-6(16)7(14)17/h5-6H,2-4H2,1H3,(H2,14,17)(H,15,19)/t5-,6-/m0/s1
InChIKeyZSARTUXRBLRSTG-WDSKDSINSA-N
XLogP-0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide (CID 90165117) is (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZSARTUXRBLRSTG-WDSKDSINSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-5(15-9(19)10(11,12)13)8(18)16-4-2-3-6(16)7(14)17/h5-6H,2-4H2,1H3,(H2,14,17)(H,15,19)/t5-,6-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 281.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90165117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).