4-(methylamino)butanamide;2,2,2-trifluoroacetic acid

C7H13F3N2O3 — CID 88645678

IUPAC4-(methylamino)butanamide;2,2,2-trifluoroacetic acid
SMILESCNCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-7-4-2-3-5(6)8;3-2(4,5)1(6)7/h7H,2-4H2,1H3,(H2,6,8);(H,6,7)
InChIKeySWCDFKZGNIBLGH-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.10
Rot. Bonds4

About 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid

4-(methylamino)butanamide;2,2,2-trifluoroacetic acid (PubChem CID 88645678) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(methylamino)butanamide;2,2,2-trifluoroacetic acid
PubChem CID88645678
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name4-(methylamino)butanamide;2,2,2-trifluoroacetic acid
SMILESCNCCCC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-7-4-2-3-5(6)8;3-2(4,5)1(6)7/h7H,2-4H2,1H3,(H2,6,8);(H,6,7)
InChIKeySWCDFKZGNIBLGH-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

4-Aminobutanamide;2,2,2-trifluoroacetic acid
CID 22337150
Butyl-methylamine trifluoroacetic acid salt
CID 85705623
2-(Methylamino)butanamide;2,2,2-trifluoroacetic acid
CID 89923236
3-(Methylamino)propanamide;2,2,2-trifluoroacetic acid
CID 118076507
[Methyl-[4-(methylamino)butanoyl]amino] 2,2,2-trifluoroacetate
CID 146478953
N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 174850119
3,3-Difluoro-4-(methylamino)butanoic acid
CID 105429824
4-(Dimethylamino)butanamide;2,2,2-trifluoroacetic acid
CID 158821974
3-[(3-Carbamoylpropyl)amino]-2,2-difluoropropanoic acid
CID 165465810
3,3-Difluoro-4-(propylamino)butanoic acid
CID 165474623
4-(Ethylamino)-3,3-difluorobutanoic acid
CID 165789410
4-Acetamido-2,2-difluorobutanoic acid
CID 165910756

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid (CID 88645678) is 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid is CNCCCC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is SWCDFKZGNIBLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-7-4-2-3-5(6)8;3-2(4,5)1(6)7/h7H,2-4H2,1H3,(H2,6,8);(H,6,7).
What are the key properties of 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid?
4-(methylamino)butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 88645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).