(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid

C13H16F3NO2 — CID 122038148

IUPAC(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
SMILESCC(Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-8(17-9(2)12(18)19)7-10-3-5-11(6-4-10)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)/t8?,9-/m1/s1
InChIKeySCDIBJMDMZEAGM-YGPZHTELSA-N
MW275.27 g/mol
LogP2.70
Rot. Bonds5

About (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid

(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid (PubChem CID 122038148) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
PubChem CID122038148
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
SMILESCC(Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-8(17-9(2)12(18)19)7-10-3-5-11(6-4-10)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)/t8?,9-/m1/s1
InChIKeySCDIBJMDMZEAGM-YGPZHTELSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]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

(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
(2S)-3-phenyl-2-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propanoic acid
CID 122037540
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
2-[[4-(trifluoromethyl)phenyl]methyl]butanedioic acid
CID 18948511
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
(2R)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 93056728
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid?
The IUPAC name of (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid (CID 122038148) is (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid?
The canonical SMILES for (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid is CC(Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid?
The InChIKey is SCDIBJMDMZEAGM-YGPZHTELSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(17-9(2)12(18)19)7-10-3-5-11(6-4-10)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid?
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid is sourced from PubChem (CID 122038148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).