4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid

C10H11NO5 — CID 22446557

IUPAC4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(C(=O)C(O)CO)c1
InChIInChI=1S/C10H11NO5/c11-5-1-2-6(10(15)16)7(3-5)9(14)8(13)4-12/h1-3,8,12-13H,4,11H2,(H,15,16)
InChIKeyGCZVQAUTTYAJNQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.50
Rot. Bonds4

About 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid

4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid (PubChem CID 22446557) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid
PubChem CID22446557
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(C(=O)C(O)CO)c1
InChIInChI=1S/C10H11NO5/c11-5-1-2-6(10(15)16)7(3-5)9(14)8(13)4-12/h1-3,8,12-13H,4,11H2,(H,15,16)
InChIKeyGCZVQAUTTYAJNQ-UHFFFAOYSA-N
XLogP-0.50
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid?
The IUPAC name of 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid (CID 22446557) is 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid?
The canonical SMILES for 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid is Nc1ccc(C(=O)O)c(C(=O)C(O)CO)c1.
What is the InChIKey of 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid?
The InChIKey is GCZVQAUTTYAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c11-5-1-2-6(10(15)16)7(3-5)9(14)8(13)4-12/h1-3,8,12-13H,4,11H2,(H,15,16).
What are the key properties of 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid?
4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid is sourced from PubChem (CID 22446557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).