[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate

C10H10F3N3O5 — CID 156711375

IUPAC[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate
SMILESNCC(=O)N(CCN1C(=O)C=CC1=O)OC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)9(20)21-16(8(19)5-14)4-3-15-6(17)1-2-7(15)18/h1-2H,3-5,14H2
InChIKeyCGUBXJVJHJYSMT-UHFFFAOYSA-N
MW309.20 g/mol
LogP-1.28
Rot. Bonds4

About [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate

[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate (PubChem CID 156711375) has the molecular formula C10H10F3N3O5 and a molecular weight of 309.20 g/mol. Its IUPAC name is [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate
PubChem CID156711375
Molecular FormulaC10H10F3N3O5
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate
SMILESNCC(=O)N(CCN1C(=O)C=CC1=O)OC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)9(20)21-16(8(19)5-14)4-3-15-6(17)1-2-7(15)18/h1-2H,3-5,14H2
InChIKeyCGUBXJVJHJYSMT-UHFFFAOYSA-N
XLogP-1.28
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate 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

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CID 16212752
2-(2,5-Dioxopyrrol-1-yl)ethylazanium;2,2,2-trifluoroacetate
CID 2778790
3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-propylammonium trifluoroacetate
CID 67388280
N-(2-aminoethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 124091649
[2-Aminoethyl-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino] 2,2,2-trifluoroacetate
CID 140318133
[2-(2,5-Dioxopyrrol-1-yl)ethylamino] 2,2,2-trifluoroacetate
CID 153317709
2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 156064194
1-(2-Aminoethyl)pyrrole-2,5-dione;trifluoromethyl acetate
CID 158113829
1-[2-[2-Aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 169790174
1-(2-Aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)
CID 172816872
4-(2,5-Dioxopyrrol-1-yl)butylazanium;2,2,2-trifluoroacetate
CID 118276522
1-(3-Aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
CID 122407757

Frequently Asked Questions

What is the IUPAC name of [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate (CID 156711375) is [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate is NCC(=O)N(CCN1C(=O)C=CC1=O)OC(=O)C(F)(F)F.
What is the InChIKey of [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate?
The InChIKey is CGUBXJVJHJYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O5/c11-10(12,13)9(20)21-16(8(19)5-14)4-3-15-6(17)1-2-7(15)18/h1-2H,3-5,14H2.
What are the key properties of [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate?
[(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate has a molecular weight of 309.20 g/mol, XLogP of -1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminoacetyl)-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 156711375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).