2-(6-aminohexanoylamino)-5-hydroxybenzoic acid

C13H18N2O4 — CID 61405789

IUPAC2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
SMILESNCCCCCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c14-7-3-1-2-4-12(17)15-11-6-5-9(16)8-10(11)13(18)19/h5-6,8,16H,1-4,7,14H2,(H,15,17)(H,18,19)
InChIKeyLDTUIDYXGPFLBU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds7

About 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid

2-(6-aminohexanoylamino)-5-hydroxybenzoic acid (PubChem CID 61405789) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
PubChem CID61405789
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
SMILESNCCCCCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c14-7-3-1-2-4-12(17)15-11-6-5-9(16)8-10(11)13(18)19/h5-6,8,16H,1-4,7,14H2,(H,15,17)(H,18,19)
InChIKeyLDTUIDYXGPFLBU-UHFFFAOYSA-N
XLogP1.55
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
5-hydroxy-2-(pent-4-enoylamino)benzoic acid
CID 55102905
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid (CID 61405789) is 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid is NCCCCCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid?
The InChIKey is LDTUIDYXGPFLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-7-3-1-2-4-12(17)15-11-6-5-9(16)8-10(11)13(18)19/h5-6,8,16H,1-4,7,14H2,(H,15,17)(H,18,19).
What are the key properties of 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid?
2-(6-aminohexanoylamino)-5-hydroxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexanoylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 61405789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).