2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid

C16H18F3NO3 — CID 75472228

IUPAC2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
SMILESCC(NC(=O)CC(c1ccccc1)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C16H18F3NO3/c1-15(14(22)23,11-7-8-11)20-13(21)9-12(16(17,18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyOFOZLEVYPUHZLC-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.09
Rot. Bonds6

About 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid

2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid (PubChem CID 75472228) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
PubChem CID75472228
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
SMILESCC(NC(=O)CC(c1ccccc1)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C16H18F3NO3/c1-15(14(22)23,11-7-8-11)20-13(21)9-12(16(17,18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyOFOZLEVYPUHZLC-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic 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

N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119607171
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 62099240
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
(3S)-4,4,4-trifluoro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-3-phenylbutanamide
CID 95569006
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
3-phenyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 119165660

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid (CID 75472228) is 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid is CC(NC(=O)CC(c1ccccc1)C(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid?
The InChIKey is OFOZLEVYPUHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-15(14(22)23,11-7-8-11)20-13(21)9-12(16(17,18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid?
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid has a molecular weight of 329.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 75472228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).