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

C9H11NO4 — CID 104501008

IUPAC2-amino-4-(2-hydroxyethoxy)benzoic acid
SMILESNc1cc(OCCO)ccc1C(=O)O
InChIInChI=1S/C9H11NO4/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyVQKLHPMZIPCTKL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.34
Rot. Bonds4

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

2-amino-4-(2-hydroxyethoxy)benzoic acid (PubChem CID 104501008) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethoxy)benzoic acid
PubChem CID104501008
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-amino-4-(2-hydroxyethoxy)benzoic acid
SMILESNc1cc(OCCO)ccc1C(=O)O
InChIInChI=1S/C9H11NO4/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyVQKLHPMZIPCTKL-UHFFFAOYSA-N
XLogP0.34
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2-hydroxyethoxy)benzoic 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-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
[2-amino-5-(2-hydroxyethoxy)phenyl]carbamic acid
CID 141144866
2-amino-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 70096875
2,3-bis(2-hydroxyethoxy)terephthalic acid
CID 18003835
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethoxy)benzoic acid?
The IUPAC name of 2-amino-4-(2-hydroxyethoxy)benzoic acid (CID 104501008) is 2-amino-4-(2-hydroxyethoxy)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-hydroxyethoxy)benzoic acid?
The canonical SMILES for 2-amino-4-(2-hydroxyethoxy)benzoic acid is Nc1cc(OCCO)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(2-hydroxyethoxy)benzoic acid?
The InChIKey is VQKLHPMZIPCTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-8-5-6(14-4-3-11)1-2-7(8)9(12)13/h1-2,5,11H,3-4,10H2,(H,12,13).
What are the key properties of 2-amino-4-(2-hydroxyethoxy)benzoic acid?
2-amino-4-(2-hydroxyethoxy)benzoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethoxy)benzoic acid is sourced from PubChem (CID 104501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).