butyl 4-amino-3-hydroxybenzoate

C11H15NO3 — CID 10727111

IUPACbutyl 4-amino-3-hydroxybenzoate
SMILESCCCCOC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyVVDNRROOCMPIAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.93
Rot. Bonds4

About butyl 4-amino-3-hydroxybenzoate

butyl 4-amino-3-hydroxybenzoate (PubChem CID 10727111) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is butyl 4-amino-3-hydroxybenzoate.

Molecular Properties

Compound Namebutyl 4-amino-3-hydroxybenzoate
PubChem CID10727111
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namebutyl 4-amino-3-hydroxybenzoate
SMILESCCCCOC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,13H,2-3,6,12H2,1H3
InChIKeyVVDNRROOCMPIAL-UHFFFAOYSA-N
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-amino-3-hydroxybenzoate 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

ethyl 4-amino-3-hydroxybenzoate
CID 12784565
butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
decyl 3,4-dihydroxybenzoate
CID 10063047
3,3-dimethylbutyl 4-amino-3-hydroxybenzoate
CID 66226889
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
nonyl 4-amino-3-methylbenzoate
CID 63450150
pentyl 4-amino-3-iodobenzoate
CID 44829102
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
azane;butyl 4-aminobenzoate
CID 175088613
hexadecyl 4-amino-3-methoxybenzoate
CID 154161759
hexyl 3-hydroxy-4-methoxybenzoate
CID 3035997
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692

Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-3-hydroxybenzoate?
The IUPAC name of butyl 4-amino-3-hydroxybenzoate (CID 10727111) is butyl 4-amino-3-hydroxybenzoate.
What is the SMILES notation for butyl 4-amino-3-hydroxybenzoate?
The canonical SMILES for butyl 4-amino-3-hydroxybenzoate is CCCCOC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of butyl 4-amino-3-hydroxybenzoate?
The InChIKey is VVDNRROOCMPIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,13H,2-3,6,12H2,1H3.
What are the key properties of butyl 4-amino-3-hydroxybenzoate?
butyl 4-amino-3-hydroxybenzoate has a molecular weight of 209.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-amino-3-hydroxybenzoate is sourced from PubChem (CID 10727111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).