N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C11H17F3N4O2 — CID 58651104

IUPACN-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESN[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N4O2/c12-11(13,14)9(19)16-8-2-4-18(6-8)10(20)17-3-1-7(15)5-17/h7-8H,1-6,15H2,(H,16,19)/t7-,8?/m0/s1
InChIKeyBXXKIZGFRCJHNE-JAMMHHFISA-N
MW294.28 g/mol
LogP-0.11
Rot. Bonds1

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

N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 58651104) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID58651104
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC NameN-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESN[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N4O2/c12-11(13,14)9(19)16-8-2-4-18(6-8)10(20)17-3-1-7(15)5-17/h7-8H,1-6,15H2,(H,16,19)/t7-,8?/m0/s1
InChIKeyBXXKIZGFRCJHNE-JAMMHHFISA-N
XLogP-0.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-0.11
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
(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
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
4-oxo-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
CID 128820708

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 58651104) is N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is N[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1.
What is the InChIKey of N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is BXXKIZGFRCJHNE-JAMMHHFISA-N. The full InChI is InChI=1S/C11H17F3N4O2/c12-11(13,14)9(19)16-8-2-4-18(6-8)10(20)17-3-1-7(15)5-17/h7-8H,1-6,15H2,(H,16,19)/t7-,8?/m0/s1.
What are the key properties of N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 294.28 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58651104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).