4-amino-3-(2-hydroxyethoxy)benzoic acid

C9H11NO4 — CID 43379927

IUPAC4-amino-3-(2-hydroxyethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCCO
InChIInChI=1S/C9H11NO4/c10-7-2-1-6(9(12)13)5-8(7)14-4-3-11/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyAOEKTLZVHAMNGW-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.34
Rot. Bonds4

About 4-amino-3-(2-hydroxyethoxy)benzoic acid

4-amino-3-(2-hydroxyethoxy)benzoic acid (PubChem CID 43379927) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethoxy)benzoic acid
PubChem CID43379927
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-amino-3-(2-hydroxyethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCCO
InChIInChI=1S/C9H11NO4/c10-7-2-1-6(9(12)13)5-8(7)14-4-3-11/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyAOEKTLZVHAMNGW-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'}

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Related Compounds

4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
4-amino-3-(4,4-dimethylpentoxy)benzoic acid
CID 114209628
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-amino-3-propoxybenzamide
CID 63356295
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethoxy)benzoic acid?
The IUPAC name of 4-amino-3-(2-hydroxyethoxy)benzoic acid (CID 43379927) is 4-amino-3-(2-hydroxyethoxy)benzoic acid.
What is the SMILES notation for 4-amino-3-(2-hydroxyethoxy)benzoic acid?
The canonical SMILES for 4-amino-3-(2-hydroxyethoxy)benzoic acid is Nc1ccc(C(=O)O)cc1OCCO.
What is the InChIKey of 4-amino-3-(2-hydroxyethoxy)benzoic acid?
The InChIKey is AOEKTLZVHAMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-7-2-1-6(9(12)13)5-8(7)14-4-3-11/h1-2,5,11H,3-4,10H2,(H,12,13).
What are the key properties of 4-amino-3-(2-hydroxyethoxy)benzoic acid?
4-amino-3-(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 4-amino-3-(2-hydroxyethoxy)benzoic acid is sourced from PubChem (CID 43379927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).