2-(3-aminopropanoylamino)-5-hydroxybenzoic acid

C10H12N2O4 — CID 61405791

IUPAC2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
SMILESNCCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c11-4-3-9(14)12-8-2-1-6(13)5-7(8)10(15)16/h1-2,5,13H,3-4,11H2,(H,12,14)(H,15,16)
InChIKeyAKJPNGDPWAOODL-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.38
Rot. Bonds4

About 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid

2-(3-aminopropanoylamino)-5-hydroxybenzoic acid (PubChem CID 61405791) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
PubChem CID61405791
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
SMILESNCCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c11-4-3-9(14)12-8-2-1-6(13)5-7(8)10(15)16/h1-2,5,13H,3-4,11H2,(H,12,14)(H,15,16)
InChIKeyAKJPNGDPWAOODL-UHFFFAOYSA-N
XLogP0.38
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
CID 61405789
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
5-hydroxy-2-(pent-4-enoylamino)benzoic acid
CID 55102905
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
CID 115435207

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid (CID 61405791) is 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid is NCCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid?
The InChIKey is AKJPNGDPWAOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-4-3-9(14)12-8-2-1-6(13)5-7(8)10(15)16/h1-2,5,13H,3-4,11H2,(H,12,14)(H,15,16).
What are the key properties of 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid?
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 61405791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).