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

C18H26FNO3 — CID 90345507

IUPAC2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C1CCCCC1)C(=O)O
InChIInChI=1S/C18H26FNO3/c1-18(20,17(21)22)12-14-11-15(23-10-9-19)7-8-16(14)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12,20H2,1H3,(H,21,22)
InChIKeyCIAGSYZSCXKVJK-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.43
Rot. Bonds7

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

2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (PubChem CID 90345507) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
PubChem CID90345507
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C1CCCCC1)C(=O)O
InChIInChI=1S/C18H26FNO3/c1-18(20,17(21)22)12-14-11-15(23-10-9-19)7-8-16(14)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12,20H2,1H3,(H,21,22)
InChIKeyCIAGSYZSCXKVJK-UHFFFAOYSA-N
XLogP3.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.43
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-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (CID 90345507) is 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is CC(N)(Cc1cc(OCCF)ccc1C1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The InChIKey is CIAGSYZSCXKVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(20,17(21)22)12-14-11-15(23-10-9-19)7-8-16(14)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid has a molecular weight of 323.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-cyclohexyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 90345507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).