2-amino-3-butoxybenzoic acid

C11H15NO3 — CID 61039870

IUPAC2-amino-3-butoxybenzoic acid
SMILESCCCCOc1cccc(C(=O)O)c1N
InChIInChI=1S/C11H15NO3/c1-2-3-7-15-9-6-4-5-8(10(9)12)11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14)
InChIKeyFKLZPOWJPWNISV-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-3-butoxybenzoic acid

2-amino-3-butoxybenzoic acid (PubChem CID 61039870) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-butoxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-butoxybenzoic acid
PubChem CID61039870
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-butoxybenzoic acid
SMILESCCCCOc1cccc(C(=O)O)c1N
InChIInChI=1S/C11H15NO3/c1-2-3-7-15-9-6-4-5-8(10(9)12)11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14)
InChIKeyFKLZPOWJPWNISV-UHFFFAOYSA-N
XLogP2.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-butoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-octoxybenzoic acid
CID 113333300
methyl 2-amino-3-butoxybenzoate
CID 61039982
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
2-amino-3-(3,3-dimethylbutoxy)benzoic acid
CID 115547343
3-butoxy-2-methoxybenzoic acid
CID 82161610
ethyl 2-amino-3-octoxybenzoate
CID 115547094
2-pentoxybenzoic acid;hydrochloride
CID 70416265
3-amino-2-pentoxybenzoic acid
CID 112579762
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
3-hexoxy-2-methylbenzoic acid
CID 82826739
2-nonoxybenzoic acid;zinc
CID 70396181

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butoxybenzoic acid?
The IUPAC name of 2-amino-3-butoxybenzoic acid (CID 61039870) is 2-amino-3-butoxybenzoic acid.
What is the SMILES notation for 2-amino-3-butoxybenzoic acid?
The canonical SMILES for 2-amino-3-butoxybenzoic acid is CCCCOc1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-butoxybenzoic acid?
The InChIKey is FKLZPOWJPWNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-7-15-9-6-4-5-8(10(9)12)11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-butoxybenzoic acid?
2-amino-3-butoxybenzoic acid has a molecular weight of 209.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butoxybenzoic acid is sourced from PubChem (CID 61039870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).