4-amino-2-(2-cyclobutylethoxy)benzoic acid

C13H17NO3 — CID 106203435

IUPAC4-amino-2-(2-cyclobutylethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OCCC2CCC2)c1
InChIInChI=1S/C13H17NO3/c14-10-4-5-11(13(15)16)12(8-10)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2,(H,15,16)
InChIKeyJOMYLZFWIBBTPZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.54
Rot. Bonds5

About 4-amino-2-(2-cyclobutylethoxy)benzoic acid

4-amino-2-(2-cyclobutylethoxy)benzoic acid (PubChem CID 106203435) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-amino-2-(2-cyclobutylethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-cyclobutylethoxy)benzoic acid
PubChem CID106203435
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-amino-2-(2-cyclobutylethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OCCC2CCC2)c1
InChIInChI=1S/C13H17NO3/c14-10-4-5-11(13(15)16)12(8-10)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2,(H,15,16)
InChIKeyJOMYLZFWIBBTPZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.54
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

4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-amino-2-nonoxybenzoic acid
CID 106954713
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
5-amino-2-(cyclobutylmethylamino)benzoic acid
CID 60989727
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
4-amino-2-(3-methylsulfanylpropoxy)benzoic acid
CID 106954863
4-amino-2-(2-tert-butylsulfonylethoxy)benzoic acid
CID 106954839

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-cyclobutylethoxy)benzoic acid?
The IUPAC name of 4-amino-2-(2-cyclobutylethoxy)benzoic acid (CID 106203435) is 4-amino-2-(2-cyclobutylethoxy)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-cyclobutylethoxy)benzoic acid?
The canonical SMILES for 4-amino-2-(2-cyclobutylethoxy)benzoic acid is Nc1ccc(C(=O)O)c(OCCC2CCC2)c1.
What is the InChIKey of 4-amino-2-(2-cyclobutylethoxy)benzoic acid?
The InChIKey is JOMYLZFWIBBTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-10-4-5-11(13(15)16)12(8-10)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2,(H,15,16).
What are the key properties of 4-amino-2-(2-cyclobutylethoxy)benzoic acid?
4-amino-2-(2-cyclobutylethoxy)benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-cyclobutylethoxy)benzoic acid is sourced from PubChem (CID 106203435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).