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

C15H20FNO3 — CID 90345482

IUPAC2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C1CC1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-15(17,14(18)19)9-11-8-12(20-7-6-16)4-5-13(11)10-2-3-10/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyAJJGMHWZVJBGJD-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.26
Rot. Bonds7

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

2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (PubChem CID 90345482) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
PubChem CID90345482
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1C1CC1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-15(17,14(18)19)9-11-8-12(20-7-6-16)4-5-13(11)10-2-3-10/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyAJJGMHWZVJBGJD-UHFFFAOYSA-N
XLogP2.26
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.26
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-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid (CID 90345482) is 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is CC(N)(Cc1cc(OCCF)ccc1C1CC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
The InChIKey is AJJGMHWZVJBGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(17,14(18)19)9-11-8-12(20-7-6-16)4-5-13(11)10-2-3-10/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid?
2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.26, 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-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 90345482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).