N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H20F3N3O2 — CID 63709697

IUPACN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)5-18(6-9(16)19)10(20)11(12(13,14)15)3-4-17-7-11/h8,17H,3-7H2,1-2H3,(H2,16,19)
InChIKeyBCSWYORFHUGJDV-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.50
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709697) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709697
Molecular FormulaC12H20F3N3O2
Molecular Weight295.30 g/mol
Exact Mass295.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)5-18(6-9(16)19)10(20)11(12(13,14)15)3-4-17-7-11/h8,17H,3-7H2,1-2H3,(H2,16,19)
InChIKeyBCSWYORFHUGJDV-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709697) is N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)CN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BCSWYORFHUGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8(2)5-18(6-9(16)19)10(20)11(12(13,14)15)3-4-17-7-11/h8,17H,3-7H2,1-2H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).