2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid

C16H24FNO3 — CID 90345468

IUPAC2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-15(2,3)13-6-5-12(21-8-7-17)9-11(13)10-16(4,18)14(19)20/h5-6,9H,7-8,10,18H2,1-4H3,(H,19,20)
InChIKeyGHDKGHFFSKOYJO-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.68
Rot. Bonds6

About 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid

2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (PubChem CID 90345468) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
PubChem CID90345468
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-15(2,3)13-6-5-12(21-8-7-17)9-11(13)10-16(4,18)14(19)20/h5-6,9H,7-8,10,18H2,1-4H3,(H,19,20)
InChIKeyGHDKGHFFSKOYJO-UHFFFAOYSA-N
XLogP2.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (CID 90345468) is 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is CC(N)(Cc1cc(OCCF)ccc1C(C)(C)C)C(=O)O.
What is the InChIKey of 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The InChIKey is GHDKGHFFSKOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-15(2,3)13-6-5-12(21-8-7-17)9-11(13)10-16(4,18)14(19)20/h5-6,9H,7-8,10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid has a molecular weight of 297.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-tert-butyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 90345468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).