N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid

C7H13F3N2O3 — CID 155291138

IUPACN-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-5(8)7-4-2-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyQTIPZRSWFCYLGT-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.10
Rot. Bonds3

About N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid

N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155291138) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155291138
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC NameN-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-5(8)7-4-2-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyQTIPZRSWFCYLGT-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid (CID 155291138) is N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QTIPZRSWFCYLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-5(8)7-4-2-3-6;3-2(4,5)1(6)7/h2-4,6H2,1H3,(H,7,8);(H,6,7).
What are the key properties of N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid?
N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155291138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).