3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid

C9H15F3N2O4 — CID 68771780

IUPAC3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c8-7(10)1-2-9-3-5-11-6-4-9;3-2(4,5)1(6)7/h1-6H2,(H2,8,10);(H,6,7)
InChIKeyAVJRQIZEPMAGBV-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.17
Rot. Bonds3

About 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid

3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 68771780) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID68771780
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c8-7(10)1-2-9-3-5-11-6-4-9;3-2(4,5)1(6)7/h1-6H2,(H2,8,10);(H,6,7)
InChIKeyAVJRQIZEPMAGBV-UHFFFAOYSA-N
XLogP-0.17
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-morpholin-4-ylpropanamide;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

4-(Azetidine-3-carbonyl)morpholine; trifluoroacetic acid
CID 71298629
3-Amino-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 66994528
4-(N-methyl-beta-alanyl)morpholine trifluoroacetic acid salt
CID 67765016
3-Morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 68771782
3-Morpholin-4-ylbutanamide;2,2,2-trifluoroacetic acid
CID 69522535
4-Methylmorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 71146877
3-amino-N-(2-morpholin-4-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 87723328
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
CID 91576156
Morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162320358
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanamide;2,2,2-trifluoroacetic acid
CID 162326491
3,3,3-Trifluoro-2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]propanoic acid
CID 103263018
2,2,2-trifluoroethyl N-(3-morpholin-4-yl-3-oxopropyl)carbamate
CID 112686337

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid (CID 68771780) is 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid is NC(=O)CCN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is AVJRQIZEPMAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2HF3O2/c8-7(10)1-2-9-3-5-11-6-4-9;3-2(4,5)1(6)7/h1-6H2,(H2,8,10);(H,6,7).
What are the key properties of 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68771780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).