5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid

C17H17N3O3 — CID 23298638

IUPAC5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid
SMILESNc1cc(N)cc(C(=O)O)c1.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C7H8N2O2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;8-5-1-4(7(10)11)2-6(9)3-5/h1-6,12H,11H2;1-3H,8-9H2,(H,10,11)
InChIKeyGJOMHSLVMWYUOF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.68
Rot. Bonds1

About 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid

5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid (PubChem CID 23298638) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid.

Molecular Properties

Compound Name5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid
PubChem CID23298638
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid
SMILESNc1cc(N)cc(C(=O)O)c1.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C7H8N2O2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;8-5-1-4(7(10)11)2-6(9)3-5/h1-6,12H,11H2;1-3H,8-9H2,(H,10,11)
InChIKeyGJOMHSLVMWYUOF-UHFFFAOYSA-N
XLogP2.68
TPSA135.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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disodium;5-aminobenzene-1,3-dicarboxylic acid;hydride
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8-aminonaphthalene-2-carboxylic acid
CID 13440887
3-aminobenzoic acid;azane
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Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid?
The IUPAC name of 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid (CID 23298638) is 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid.
What is the SMILES notation for 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid?
The canonical SMILES for 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid is Nc1cc(N)cc(C(=O)O)c1.Nc1cccc2c(O)cccc12.
What is the InChIKey of 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid?
The InChIKey is GJOMHSLVMWYUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C7H8N2O2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;8-5-1-4(7(10)11)2-6(9)3-5/h1-6,12H,11H2;1-3H,8-9H2,(H,10,11).
What are the key properties of 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid?
5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid has a molecular weight of 311.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalen-1-ol;3,5-diaminobenzoic acid is sourced from PubChem (CID 23298638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).