1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide

C11H17F3N4O3 — CID 166119607

IUPAC1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(NC(=O)C(F)(F)F)CN1C(=O)C(C)N
InChIInChI=1S/C11H17F3N4O3/c1-5(15)9(20)18-4-6(3-7(18)8(19)16-2)17-10(21)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyISFOVBADLKMLMY-UHFFFAOYSA-N
MW310.28 g/mol
LogP-1.27
Rot. Bonds3

About 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide

1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide (PubChem CID 166119607) has the molecular formula C11H17F3N4O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide
PubChem CID166119607
Molecular FormulaC11H17F3N4O3
Molecular Weight310.28 g/mol
Exact Mass310.13
IUPAC Name1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(NC(=O)C(F)(F)F)CN1C(=O)C(C)N
InChIInChI=1S/C11H17F3N4O3/c1-5(15)9(20)18-4-6(3-7(18)8(19)16-2)17-10(21)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyISFOVBADLKMLMY-UHFFFAOYSA-N
XLogP-1.27
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-aminobutyryl-L-prolinamide
CID 11579307
Acetyl-Pro-Ala-Pro-Ala-trifluoro methane
CID 44353385
Acetyl-Ala-Ala-Pro-Ala-trifluromethane
CID 44353386
L-norvalyl-L-prolinamide
CID 11687141
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide
CID 44281634
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029
(2S)-aminobutyryl-L-proline (R)-sec-butylamide
CID 11579736

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide (CID 166119607) is 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide is CNC(=O)C1CC(NC(=O)C(F)(F)F)CN1C(=O)C(C)N.
What is the InChIKey of 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is ISFOVBADLKMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3/c1-5(15)9(20)18-4-6(3-7(18)8(19)16-2)17-10(21)11(12,13)14/h5-7H,3-4,15H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide?
1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 310.28 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-N-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166119607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).