2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid

C10H12FNO3 — CID 90975702

IUPAC2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)c1c(N)cccc1F
InChIInChI=1S/C10H12FNO3/c1-15-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyWDVKXSYETMFUCQ-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.22
Rot. Bonds4

About 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid

2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid (PubChem CID 90975702) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid
PubChem CID90975702
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)c1c(N)cccc1F
InChIInChI=1S/C10H12FNO3/c1-15-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyWDVKXSYETMFUCQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid (CID 90975702) is 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid is COCC(C(=O)O)c1c(N)cccc1F.
What is the InChIKey of 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid?
The InChIKey is WDVKXSYETMFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid?
2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluorophenyl)-3-methoxypropanoic acid is sourced from PubChem (CID 90975702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).