(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid

C14H16F3NO3 — CID 103926700

IUPAC(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-13(2,3)10(12(20)21)18-11(19)8-5-4-6-9(7-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyLZQRTUTYKDSAIB-JTQLQIEISA-N
MW303.28 g/mol
LogP2.93
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid (PubChem CID 103926700) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
PubChem CID103926700
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-13(2,3)10(12(20)21)18-11(19)8-5-4-6-9(7-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyLZQRTUTYKDSAIB-JTQLQIEISA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]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

2-[(3-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43467790
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid (CID 103926700) is (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid is CC(C)(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid?
The InChIKey is LZQRTUTYKDSAIB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-13(2,3)10(12(20)21)18-11(19)8-5-4-6-9(7-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,19)(H,20,21)/t10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid?
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 103926700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).