2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide

C12H19F3N4O2 — CID 58651072

IUPAC2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCN[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N4O2/c1-16-8-2-4-18(6-8)11(21)19-5-3-9(7-19)17-10(20)12(13,14)15/h8-9,16H,2-7H2,1H3,(H,17,20)/t8-,9?/m0/s1
InChIKeyZXKQMYJUEAGRFF-IENPIDJESA-N
MW308.30 g/mol
LogP0.15
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 58651072) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID58651072
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCN[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N4O2/c1-16-8-2-4-18(6-8)11(21)19-5-3-9(7-19)17-10(20)12(13,14)15/h8-9,16H,2-7H2,1H3,(H,17,20)/t8-,9?/m0/s1
InChIKeyZXKQMYJUEAGRFF-IENPIDJESA-N
XLogP0.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 172435645
N-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-ethyl-3-oxo-1,4-diazepane-1-carboxamide
CID 164640727
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
(3S)-3-[(2,2-difluoroacetyl)amino]-N-methylpyrrolidine-1-carboxamide
CID 57698550
(3S)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698587
N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698626
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
2,2,2-trifluoro-N-methyl-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651087
N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 58651092
tert-butyl N-methyl-N-[(3S)-1-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]carbamate
CID 58651102
N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 58651104

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide (CID 58651072) is 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide is CN[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZXKQMYJUEAGRFF-IENPIDJESA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-16-8-2-4-18(6-8)11(21)19-5-3-9(7-19)17-10(20)12(13,14)15/h8-9,16H,2-7H2,1H3,(H,17,20)/t8-,9?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 308.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58651072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).