(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol

C10H13NO3 — CID 15162894

IUPAC(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol
SMILESN[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
InChIInChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
InChIKeyDTKDYAXITHKMGK-GMSGAONNSA-N
MW195.22 g/mol
LogP0.40
Rot. Bonds

About (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol

(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol (PubChem CID 15162894) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol
PubChem CID15162894
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol
SMILESN[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
InChIInChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
InChIKeyDTKDYAXITHKMGK-GMSGAONNSA-N
XLogP0.40
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol?
The IUPAC name of (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol (CID 15162894) is (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol.
What is the SMILES notation for (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol?
The canonical SMILES for (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol is N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O.
What is the InChIKey of (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol?
The InChIKey is DTKDYAXITHKMGK-GMSGAONNSA-N. The full InChI is InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol?
(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol has a molecular weight of 195.22 g/mol, XLogP of 0.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol is sourced from PubChem (CID 15162894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).