2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid

C11H12FNO3 — CID 103586472

IUPAC2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
SMILESNc1c(OCC2CC2)ccc(F)c1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-7-3-4-8(16-5-6-1-2-6)10(13)9(7)11(14)15/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyAYKNWYRUYSBCOQ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid

2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid (PubChem CID 103586472) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
PubChem CID103586472
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
SMILESNc1c(OCC2CC2)ccc(F)c1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-7-3-4-8(16-5-6-1-2-6)10(13)9(7)11(14)15/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyAYKNWYRUYSBCOQ-UHFFFAOYSA-N
XLogP1.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.89
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

5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
CID 83215642
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753
2-(cyclopropylmethoxy)-6-phenylbenzoic acid
CID 66629657
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-amino-4-fluorobenzene-1,3-dicarboxylic acid
CID 121254589
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117473792
3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid
CID 148602319

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid?
The IUPAC name of 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid (CID 103586472) is 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid.
What is the SMILES notation for 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid?
The canonical SMILES for 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid is Nc1c(OCC2CC2)ccc(F)c1C(=O)O.
What is the InChIKey of 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid?
The InChIKey is AYKNWYRUYSBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-7-3-4-8(16-5-6-1-2-6)10(13)9(7)11(14)15/h3-4,6H,1-2,5,13H2,(H,14,15).
What are the key properties of 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid?
2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid is sourced from PubChem (CID 103586472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).