2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid

C7H12F3N3O4 — CID 87451880

IUPAC2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N3O2.C2HF3O2/c1-2-7-5(10)8-3-4(6)9;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,6,9)(H2,7,8,10);(H,6,7)
InChIKeyXEHRXIBJFUBQBE-UHFFFAOYSA-N
MW259.18 g/mol
LogP-0.58
Rot. Bonds3

About 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid

2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 87451880) has the molecular formula C7H12F3N3O4 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID87451880
Molecular FormulaC7H12F3N3O4
Molecular Weight259.18 g/mol
Exact Mass259.08
IUPAC Name2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N3O2.C2HF3O2/c1-2-7-5(10)8-3-4(6)9;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,6,9)(H2,7,8,10);(H,6,7)
InChIKeyXEHRXIBJFUBQBE-UHFFFAOYSA-N
XLogP-0.58
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid 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-amino-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 21936858
Imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 70000154
N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87410217
2-[2-[Di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
CID 87451575
1-(2-Aminoethyl)-3-ethylurea;2,2,2-trifluoroacetic acid
CID 87451882
2-(Ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 87486773
2-(Methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87645337
2-amino-N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 89106948
Ethylurea;2,2,2-trifluoroacetic acid
CID 172705975
N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 174985855
1-Methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 175693348
2-Aminoethylurea;2,2,2-trifluoroacetic acid
CID 177729572

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid (CID 87451880) is 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid is CCNC(=O)NCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XEHRXIBJFUBQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2.C2HF3O2/c1-2-7-5(10)8-3-4(6)9;3-2(4,5)1(6)7/h2-3H2,1H3,(H2,6,9)(H2,7,8,10);(H,6,7).
What are the key properties of 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid?
2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 259.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87451880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).