N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C13H21F3N4O2 — CID 58651092

IUPACN-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCN(C)[C@H]1CCN(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N4O2/c1-18(2)10-4-6-20(8-10)12(22)19-5-3-9(7-19)17-11(21)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1
InChIKeyJSPZEQJQITWLRQ-ZJUUUORDSA-N
MW322.33 g/mol
LogP0.50
Rot. Bonds2

About N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 58651092) has the molecular formula C13H21F3N4O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID58651092
Molecular FormulaC13H21F3N4O2
Molecular Weight322.33 g/mol
Exact Mass322.16
IUPAC NameN-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCN(C)[C@H]1CCN(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N4O2/c1-18(2)10-4-6-20(8-10)12(22)19-5-3-9(7-19)17-11(21)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1
InChIKeyJSPZEQJQITWLRQ-ZJUUUORDSA-N
XLogP0.50
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651072
2,2,2-trifluoro-N-methyl-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651087
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 N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 58651092) is N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is CN(C)[C@H]1CCN(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C2)C1.
What is the InChIKey of N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JSPZEQJQITWLRQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H21F3N4O2/c1-18(2)10-4-6-20(8-10)12(22)19-5-3-9(7-19)17-11(21)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1.
What are the key properties of N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 322.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).