2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

C15H18F3NO3 — CID 119192810

IUPAC2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3/c1-10(2)8-19(9-14(21)22)13(20)7-11-4-3-5-12(6-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,21,22)
InChIKeyZQSWXELNMQKEPK-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (PubChem CID 119192810) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
PubChem CID119192810
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3/c1-10(2)8-19(9-14(21)22)13(20)7-11-4-3-5-12(6-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,21,22)
InChIKeyZQSWXELNMQKEPK-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
[4-[[2-methylpropyl-(2-phenylacetyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3937045
2-[[2-[(2R)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]acetyl]-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 129458698
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
CID 86814558
ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
CID 14856859
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (CID 119192810) is 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The InChIKey is ZQSWXELNMQKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-10(2)8-19(9-14(21)22)13(20)7-11-4-3-5-12(6-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid has a molecular weight of 317.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119192810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).