4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid

C14H14N2O4 — CID 144626947

IUPAC4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid
SMILESCOc1cc(O)c(N)cc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-20-13-7-12(17)10(15)6-11(13)16-9-4-2-8(3-5-9)14(18)19/h2-7,16-17H,15H2,1H3,(H,18,19)
InChIKeyJZAIAWQYCKLTRS-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.42
Rot. Bonds4

About 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid

4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid (PubChem CID 144626947) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid
PubChem CID144626947
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid
SMILESCOc1cc(O)c(N)cc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-20-13-7-12(17)10(15)6-11(13)16-9-4-2-8(3-5-9)14(18)19/h2-7,16-17H,15H2,1H3,(H,18,19)
InChIKeyJZAIAWQYCKLTRS-UHFFFAOYSA-N
XLogP2.42
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichloroanilino)-4-methoxybenzoic acid
CID 18626152
3-amino-4-(4-chloro-2-methoxy-5-methylanilino)benzoic acid
CID 60989481
4-[[4,6-bis(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 1270210
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-[(4-carboxy-2-methoxyanilino)sulfanylamino]-3-methoxybenzoic acid
CID 167476178
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-[[6-(3-chloro-4-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192962
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid?
The IUPAC name of 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid (CID 144626947) is 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid.
What is the SMILES notation for 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid?
The canonical SMILES for 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid is COc1cc(O)c(N)cc1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid?
The InChIKey is JZAIAWQYCKLTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-13-7-12(17)10(15)6-11(13)16-9-4-2-8(3-5-9)14(18)19/h2-7,16-17H,15H2,1H3,(H,18,19).
What are the key properties of 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid?
4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-hydroxy-2-methoxyanilino)benzoic acid is sourced from PubChem (CID 144626947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).