2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid

C16H20F3NO3 — CID 119228005

IUPAC2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C16H20F3NO3/c1-10(13(21)22)9-20(4)14(23)15(2,3)11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,21,22)
InChIKeyRDPNPTXSTCVHTF-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid (PubChem CID 119228005) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
PubChem CID119228005
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C16H20F3NO3/c1-10(13(21)22)9-20(4)14(23)15(2,3)11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,21,22)
InChIKeyRDPNPTXSTCVHTF-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228626
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621
3-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 120687231
3-[[2-(2-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228737
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]amino]propanoic acid
CID 122004723
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]propanoic acid
CID 122120229
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111543235
3-hydroxy-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 62397829
2-methyl-3-[methyl-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011422
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
CID 111635202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid (CID 119228005) is 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid is CC(CN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid?
The InChIKey is RDPNPTXSTCVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-10(13(21)22)9-20(4)14(23)15(2,3)11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,9H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid has a molecular weight of 331.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid is sourced from PubChem (CID 119228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).