2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid

C9H10FNO3 — CID 171034052

IUPAC2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(N)c(CC(=O)O)c1F
InChIInChI=1S/C9H10FNO3/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyYUJKEEYQYKRJBO-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.04
Rot. Bonds3

About 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid

2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid (PubChem CID 171034052) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
PubChem CID171034052
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(N)c(CC(=O)O)c1F
InChIInChI=1S/C9H10FNO3/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyYUJKEEYQYKRJBO-UHFFFAOYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-diamino-3-methoxyphenyl)acetic acid
CID 171010490
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
CID 18444736

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid (CID 171034052) is 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid is COc1ccc(N)c(CC(=O)O)c1F.
What is the InChIKey of 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid?
The InChIKey is YUJKEEYQYKRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid?
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid has a molecular weight of 199.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 171034052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).