4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid

C15H20F3NO2 — CID 60833320

IUPAC4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-11(2)19(9-5-8-14(20)21)10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,20,21)
InChIKeyHNLDDCFXPKMQIN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.78
Rot. Bonds7

About 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid

4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid (PubChem CID 60833320) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
PubChem CID60833320
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-11(2)19(9-5-8-14(20)21)10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,20,21)
InChIKeyHNLDDCFXPKMQIN-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]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

4-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]butanoic acid
CID 104792716
4-[(2-chloro-3-fluorophenyl)methyl-propan-2-ylamino]butanoic acid
CID 112652712
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
4-[isoquinolin-4-ylmethyl(propan-2-yl)amino]butanoic acid
CID 104505244
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
4-[(2-cyano-5-fluorophenyl)methyl-propan-2-ylamino]butanoic acid
CID 64768912
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
CID 60833614
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid (CID 60833320) is 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid is CC(C)N(CCCC(=O)O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid?
The InChIKey is HNLDDCFXPKMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-11(2)19(9-5-8-14(20)21)10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,20,21).
What are the key properties of 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid?
4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid is sourced from PubChem (CID 60833320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).