4-[(2,4-dihydroxybenzoyl)amino]butanoic acid

C11H13NO5 — CID 16796144

IUPAC4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13NO5/c13-7-3-4-8(9(14)6-7)11(17)12-5-1-2-10(15)16/h3-4,6,13-14H,1-2,5H2,(H,12,17)(H,15,16)
InChIKeyKFAMLNMQWISGSI-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.69
Rot. Bonds5

About 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid

4-[(2,4-dihydroxybenzoyl)amino]butanoic acid (PubChem CID 16796144) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
PubChem CID16796144
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13NO5/c13-7-3-4-8(9(14)6-7)11(17)12-5-1-2-10(15)16/h3-4,6,13-14H,1-2,5H2,(H,12,17)(H,15,16)
InChIKeyKFAMLNMQWISGSI-UHFFFAOYSA-N
XLogP0.69
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
8-[(2-hydroxy-4-propan-2-ylbenzoyl)amino]octanoic acid
CID 44538835
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid (CID 16796144) is 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid?
The InChIKey is KFAMLNMQWISGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-7-3-4-8(9(14)6-7)11(17)12-5-1-2-10(15)16/h3-4,6,13-14H,1-2,5H2,(H,12,17)(H,15,16).
What are the key properties of 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid?
4-[(2,4-dihydroxybenzoyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 16796144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).