4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid

C10H16F3NO3 — CID 54926281

IUPAC4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7(2)14(5-3-4-9(16)17)8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyVJADCKXSSYEULF-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.04
Rot. Bonds6

About 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid

4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid (PubChem CID 54926281) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
PubChem CID54926281
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7(2)14(5-3-4-9(16)17)8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyVJADCKXSSYEULF-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic 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

3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856
4-Oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 54875334
4-[Butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875519
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
4-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
CID 55009612
4-[Methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010001
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60662230
4-(2,2,2-trifluoro-N-methylacetamido)butanoic acid
CID 60764123
4-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]butanoic acid
CID 60826281
4-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60834896

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid (CID 54926281) is 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The InChIKey is VJADCKXSSYEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(2)14(5-3-4-9(16)17)8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid has a molecular weight of 255.24 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid is sourced from PubChem (CID 54926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).