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

C17H24FNO4 — CID 90345492

IUPAC2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCOCCF)ccc1C1CC1)C(=O)O
InChIInChI=1S/C17H24FNO4/c1-17(19,16(20)21)11-13-10-14(23-9-8-22-7-6-18)4-5-15(13)12-2-3-12/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,21)
InChIKeyDARUFLDILWVIIZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.27
Rot. Bonds10

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

2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid (PubChem CID 90345492) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid
PubChem CID90345492
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCOCCF)ccc1C1CC1)C(=O)O
InChIInChI=1S/C17H24FNO4/c1-17(19,16(20)21)11-13-10-14(23-9-8-22-7-6-18)4-5-15(13)12-2-3-12/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,21)
InChIKeyDARUFLDILWVIIZ-UHFFFAOYSA-N
XLogP2.27
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid (CID 90345492) is 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid is CC(N)(Cc1cc(OCCOCCF)ccc1C1CC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid?
The InChIKey is DARUFLDILWVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-17(19,16(20)21)11-13-10-14(23-9-8-22-7-6-18)4-5-15(13)12-2-3-12/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid?
2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid has a molecular weight of 325.38 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-cyclopropyl-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 90345492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).