2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid

C10H12N2O4 — CID 3026337

IUPAC2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(N)ccc1O)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-5(10(15)16)12-9(14)7-4-6(11)2-3-8(7)13/h2-5,13H,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyJATYMJSLFAVFQU-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.18
Rot. Bonds3

About 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid

2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid (PubChem CID 3026337) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid
PubChem CID3026337
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(N)ccc1O)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-5(10(15)16)12-9(14)7-4-6(11)2-3-8(7)13/h2-5,13H,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyJATYMJSLFAVFQU-UHFFFAOYSA-N
XLogP0.18
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid (CID 3026337) is 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid is CC(NC(=O)c1cc(N)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is JATYMJSLFAVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5(10(15)16)12-9(14)7-4-6(11)2-3-8(7)13/h2-5,13H,11H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid?
2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-hydroxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 3026337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).