2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide

C11H19F3N4O2 — CID 60856801

IUPAC2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N4O2/c12-11(13,14)7-18-2-1-8(6-18)4-16-10(20)5-17-9(19)3-15/h8H,1-7,15H2,(H,16,20)(H,17,19)
InChIKeyXUCGVMUOSSYEHZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP-0.94
Rot. Bonds6

About 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide

2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide (PubChem CID 60856801) has the molecular formula C11H19F3N4O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
PubChem CID60856801
Molecular FormulaC11H19F3N4O2
Molecular Weight296.29 g/mol
Exact Mass296.15
IUPAC Name2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N4O2/c12-11(13,14)7-18-2-1-8(6-18)4-16-10(20)5-17-9(19)3-15/h8H,1-7,15H2,(H,16,20)(H,17,19)
InChIKeyXUCGVMUOSSYEHZ-UHFFFAOYSA-N
XLogP-0.94
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
CID 60856493
2-(prop-2-enylamino)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 79285873
ethyl 4-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butanoate
CID 61244678
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
1-(cyclopropylmethyl)-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111870501
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide (CID 60856801) is 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide is NCC(=O)NCC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide?
The InChIKey is XUCGVMUOSSYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2/c12-11(13,14)7-18-2-1-8(6-18)4-16-10(20)5-17-9(19)3-15/h8H,1-7,15H2,(H,16,20)(H,17,19).
What are the key properties of 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 60856801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).