N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid

C12H16F3N3O6 — CID 172820590

IUPACN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O4.C2HF3O2/c11-3-5-17-6-4-12-8(14)7-13-9(15)1-2-10(13)16;3-2(4,5)1(6)7/h1-2H,3-7,11H2,(H,12,14);(H,6,7)
InChIKeyUEBZEJZNDKTVKX-UHFFFAOYSA-N
MW355.27 g/mol
LogP-1.36
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid

N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 172820590) has the molecular formula C12H16F3N3O6 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID172820590
Molecular FormulaC12H16F3N3O6
Molecular Weight355.27 g/mol
Exact Mass355.10
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O4.C2HF3O2/c11-3-5-17-6-4-12-8(14)7-13-9(15)1-2-10(13)16;3-2(4,5)1(6)7/h1-2H,3-7,11H2,(H,12,14);(H,6,7)
InChIKeyUEBZEJZNDKTVKX-UHFFFAOYSA-N
XLogP-1.36
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 134608618
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154704767
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 155906513
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
CID 154803622
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid
CID 154725295
4-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-(sulfanylmethyl)butanoic acid
CID 145418066
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide
CID 163909802
N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 169116730
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
CID 162148016
N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 146014003
2-[3-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]pentanedioic acid
CID 155040018

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid (CID 172820590) is N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid is NCCOCCNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UEBZEJZNDKTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.C2HF3O2/c11-3-5-17-6-4-12-8(14)7-13-9(15)1-2-10(13)16;3-2(4,5)1(6)7/h1-2H,3-7,11H2,(H,12,14);(H,6,7).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid?
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 355.27 g/mol, XLogP of -1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172820590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).