pentyl 5-amino-2-hydroxybenzoate

C12H17NO3 — CID 61302134

IUPACpentyl 5-amino-2-hydroxybenzoate
SMILESCCCCCOC(=O)c1cc(N)ccc1O
InChIInChI=1S/C12H17NO3/c1-2-3-4-7-16-12(15)10-8-9(13)5-6-11(10)14/h5-6,8,14H,2-4,7,13H2,1H3
InChIKeyMOURQBGIYASWMW-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.32
Rot. Bonds5

About pentyl 5-amino-2-hydroxybenzoate

pentyl 5-amino-2-hydroxybenzoate (PubChem CID 61302134) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is pentyl 5-amino-2-hydroxybenzoate.

Molecular Properties

Compound Namepentyl 5-amino-2-hydroxybenzoate
PubChem CID61302134
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepentyl 5-amino-2-hydroxybenzoate
SMILESCCCCCOC(=O)c1cc(N)ccc1O
InChIInChI=1S/C12H17NO3/c1-2-3-4-7-16-12(15)10-8-9(13)5-6-11(10)14/h5-6,8,14H,2-4,7,13H2,1H3
InChIKeyMOURQBGIYASWMW-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.32
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': 'hydroquinone', 'substructure': 'N/A'}

Analyze pentyl 5-amino-2-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

hexyl 5-amino-2-(4-amino-2-hexoxycarbonylphenyl)benzoate
CID 100954905
5-amino-2-octoxycarbonylbenzoic acid
CID 141472571
4-amino-2-hexoxycarbonylbenzoic acid
CID 101454574
1-O-ethyl 2-O-hexyl 4-aminobenzene-1,2-dicarboxylate
CID 70177918
nonyl 5-amino-2-methoxybenzoate
CID 63450276
octyl 5-amino-2-(dimethylamino)benzoate
CID 63446936
hexacosyl 2-hydroxybenzoate
CID 19044965
hexadecyl 2,4,5-trihydroxybenzoate
CID 139941795
hexyl 2-hydroxybenzoate
CID 22629
icosyl 2-hydroxybenzoate
CID 19044963
nonyl 4-amino-2-fluorobenzoate
CID 63450769
hexyl 2-acetamido-5-aminobenzoate
CID 157010770

Frequently Asked Questions

What is the IUPAC name of pentyl 5-amino-2-hydroxybenzoate?
The IUPAC name of pentyl 5-amino-2-hydroxybenzoate (CID 61302134) is pentyl 5-amino-2-hydroxybenzoate.
What is the SMILES notation for pentyl 5-amino-2-hydroxybenzoate?
The canonical SMILES for pentyl 5-amino-2-hydroxybenzoate is CCCCCOC(=O)c1cc(N)ccc1O.
What is the InChIKey of pentyl 5-amino-2-hydroxybenzoate?
The InChIKey is MOURQBGIYASWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-4-7-16-12(15)10-8-9(13)5-6-11(10)14/h5-6,8,14H,2-4,7,13H2,1H3.
What are the key properties of pentyl 5-amino-2-hydroxybenzoate?
pentyl 5-amino-2-hydroxybenzoate has a molecular weight of 223.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 5-amino-2-hydroxybenzoate is sourced from PubChem (CID 61302134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).