N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H14F3N3O2 — CID 91220215

IUPACN-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCC(NC(=O)C(F)(F)F)C(=O)NN1CCCC1
InChIInChI=1S/C9H14F3N3O2/c1-6(13-8(17)9(10,11)12)7(16)14-15-4-2-3-5-15/h6H,2-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyPODSXMUMUACPCE-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.18
Rot. Bonds3

About N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 91220215) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID91220215
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCC(NC(=O)C(F)(F)F)C(=O)NN1CCCC1
InChIInChI=1S/C9H14F3N3O2/c1-6(13-8(17)9(10,11)12)7(16)14-15-4-2-3-5-15/h6H,2-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyPODSXMUMUACPCE-UHFFFAOYSA-N
XLogP0.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 91220215) is N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is CC(NC(=O)C(F)(F)F)C(=O)NN1CCCC1.
What is the InChIKey of N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is PODSXMUMUACPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-6(13-8(17)9(10,11)12)7(16)14-15-4-2-3-5-15/h6H,2-5H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 253.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 91220215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).