4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid

C11H17NO7S — CID 68720617

IUPAC4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
SMILESCCCCNc1ccc(C(=O)O)c(O)c1.O=S(=O)(O)O
InChIInChI=1S/C11H15NO3.H2O4S/c1-2-3-6-12-8-4-5-9(11(14)15)10(13)7-8;1-5(2,3)4/h4-5,7,12-13H,2-3,6H2,1H3,(H,14,15);(H2,1,2,3,4)
InChIKeyJBSFIIDEVSFNMY-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.65
Rot. Bonds5

About 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid

4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid (PubChem CID 68720617) has the molecular formula C11H17NO7S and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid.

Molecular Properties

Compound Name4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
PubChem CID68720617
Molecular FormulaC11H17NO7S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Name4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
SMILESCCCCNc1ccc(C(=O)O)c(O)c1.O=S(=O)(O)O
InChIInChI=1S/C11H15NO3.H2O4S/c1-2-3-6-12-8-4-5-9(11(14)15)10(13)7-8;1-5(2,3)4/h4-5,7,12-13H,2-3,6H2,1H3,(H,14,15);(H2,1,2,3,4)
InChIKeyJBSFIIDEVSFNMY-UHFFFAOYSA-N
XLogP1.65
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
CID 70563593
CID 70563593
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
1-[5-(butylamino)-2-hydroxyphenyl]ethanone
CID 53407143
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363
2-hydroxy-5-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]benzoic acid
CID 70436521
2-hydroxy-5-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]benzoic acid
CID 70437869
(1-methylpiperidin-4-yl) 4-(butylamino)-2-hydroxybenzoate;hydrochloride
CID 3060786
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid?
The IUPAC name of 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid (CID 68720617) is 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid.
What is the SMILES notation for 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid?
The canonical SMILES for 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid is CCCCNc1ccc(C(=O)O)c(O)c1.O=S(=O)(O)O.
What is the InChIKey of 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid?
The InChIKey is JBSFIIDEVSFNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.H2O4S/c1-2-3-6-12-8-4-5-9(11(14)15)10(13)7-8;1-5(2,3)4/h4-5,7,12-13H,2-3,6H2,1H3,(H,14,15);(H2,1,2,3,4).
What are the key properties of 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid?
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid has a molecular weight of 307.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid is sourced from PubChem (CID 68720617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).