N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C10H13F3N2O3 — CID 86587583

IUPACN-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)CNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-6(16)5-14-8(17)7-3-2-4-15(7)9(18)10(11,12)13/h7H,2-5H2,1H3,(H,14,17)
InChIKeyJGMJWRDBXJSGHI-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.24
Rot. Bonds3

About N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 86587583) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID86587583
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC NameN-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)CNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-6(16)5-14-8(17)7-3-2-4-15(7)9(18)10(11,12)13/h7H,2-5H2,1H3,(H,14,17)
InChIKeyJGMJWRDBXJSGHI-UHFFFAOYSA-N
XLogP0.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-aminobutyryl-L-proline isobutylamide
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
3-Fluoro-1-(pyrrolidine-2-carbonyl)pyrrolidine
CID 69997351
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
(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 N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 86587583) is N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(=O)CNC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JGMJWRDBXJSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-6(16)5-14-8(17)7-3-2-4-15(7)9(18)10(11,12)13/h7H,2-5H2,1H3,(H,14,17).
What are the key properties of N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86587583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).