6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C11H13NO2 — CID 23359820

IUPAC6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESNC1CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C11H13NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-2,5,10H,3-4,6,12H2,(H,13,14)
InChIKeyFVJJWSHIWHZUEC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds1

About 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 23359820) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID23359820
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESNC1CCc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C11H13NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-2,5,10H,3-4,6,12H2,(H,13,14)
InChIKeyFVJJWSHIWHZUEC-UHFFFAOYSA-N
XLogP1.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 23359820) is 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is NC1CCc2cc(C(=O)O)ccc2C1.
What is the InChIKey of 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is FVJJWSHIWHZUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-2,5,10H,3-4,6,12H2,(H,13,14).
What are the key properties of 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 23359820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).