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

C9H12N2O3 — CID 175322504

IUPAC2-amino-4-(2-hydroxyethylamino)benzoic acid
SMILESNc1cc(NCCO)ccc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8-5-6(11-3-4-12)1-2-7(8)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyJKVHKWQIZPNOMT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.37
Rot. Bonds4

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

2-amino-4-(2-hydroxyethylamino)benzoic acid (PubChem CID 175322504) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethylamino)benzoic acid
PubChem CID175322504
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-4-(2-hydroxyethylamino)benzoic acid
SMILESNc1cc(NCCO)ccc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8-5-6(11-3-4-12)1-2-7(8)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyJKVHKWQIZPNOMT-UHFFFAOYSA-N
XLogP0.37
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2-hydroxyethylamino)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

1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
2-amino-4-(2-ethoxyethylamino)benzoic acid
CID 104500034
2-amino-4-(benzylamino)benzoic acid
CID 104500082
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
2-amino-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]benzoic acid
CID 104500891
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 106039782
4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
CID 18371515
2-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]benzoic acid
CID 104500786
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-[3-(triazol-1-yl)propylamino]benzoic acid
CID 104500898
5-(2-hydroxyethylamino)-2-nitrobenzoic acid
CID 60649633

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethylamino)benzoic acid?
The IUPAC name of 2-amino-4-(2-hydroxyethylamino)benzoic acid (CID 175322504) is 2-amino-4-(2-hydroxyethylamino)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-hydroxyethylamino)benzoic acid?
The canonical SMILES for 2-amino-4-(2-hydroxyethylamino)benzoic acid is Nc1cc(NCCO)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(2-hydroxyethylamino)benzoic acid?
The InChIKey is JKVHKWQIZPNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-8-5-6(11-3-4-12)1-2-7(8)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14).
What are the key properties of 2-amino-4-(2-hydroxyethylamino)benzoic acid?
2-amino-4-(2-hydroxyethylamino)benzoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethylamino)benzoic acid is sourced from PubChem (CID 175322504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).