3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid

C9H16F3N3O4 — CID 87130165

IUPAC3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-10(2)5-7(12)9-4-3-6(8)11;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,8,11)(H,9,12);(H,6,7)
InChIKeyWEYXNQZBIJZGGO-UHFFFAOYSA-N
MW287.24 g/mol
LogP-0.83
Rot. Bonds5

About 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid

3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 87130165) has the molecular formula C9H16F3N3O4 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
PubChem CID87130165
Molecular FormulaC9H16F3N3O4
Molecular Weight287.24 g/mol
Exact Mass287.11
IUPAC Name3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-10(2)5-7(12)9-4-3-6(8)11;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,8,11)(H,9,12);(H,6,7)
InChIKeyWEYXNQZBIJZGGO-UHFFFAOYSA-N
XLogP-0.83
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid (CID 87130165) is 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid is CN(C)CC(=O)NCCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is WEYXNQZBIJZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2HF3O2/c1-10(2)5-7(12)9-4-3-6(8)11;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H2,8,11)(H,9,12);(H,6,7).
What are the key properties of 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid?
3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 287.24 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87130165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).