2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid

C14H16F3NO3 — CID 60827561

IUPAC2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-3-9(2)18(8-12(19)20)13(21)10-6-4-5-7-11(10)14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyPVCVXXUGEMKUGO-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.03
Rot. Bonds5

About 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid

2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid (PubChem CID 60827561) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
PubChem CID60827561
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-3-9(2)18(8-12(19)20)13(21)10-6-4-5-7-11(10)14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyPVCVXXUGEMKUGO-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic 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-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
2-[(4-amino-2-fluorobenzoyl)-butan-2-ylamino]acetic acid
CID 107794261
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
2-[butan-2-yl-(2,5-dibromobenzoyl)amino]acetic acid
CID 114367924
2-[butan-2-yl-(2-chloro-5-hydroxybenzoyl)amino]acetic acid
CID 106500217
2-[butan-2-yl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103826055
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid (CID 60827561) is 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The InChIKey is PVCVXXUGEMKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-3-9(2)18(8-12(19)20)13(21)10-6-4-5-7-11(10)14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid?
2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid has a molecular weight of 303.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 60827561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).