1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C11H13NO3 — CID 68877054

IUPAC1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)c2ccccc2CCC1O
InChIInChI=1S/C11H13NO3/c12-11(10(14)15)8-4-2-1-3-7(8)5-6-9(11)13/h1-4,9,13H,5-6,12H2,(H,14,15)
InChIKeyZTDXWIOABUASPU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.23
Rot. Bonds1

About 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 68877054) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID68877054
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)c2ccccc2CCC1O
InChIInChI=1S/C11H13NO3/c12-11(10(14)15)8-4-2-1-3-7(8)5-6-9(11)13/h1-4,9,13H,5-6,12H2,(H,14,15)
InChIKeyZTDXWIOABUASPU-UHFFFAOYSA-N
XLogP0.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 68877054) is 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is NC1(C(=O)O)c2ccccc2CCC1O.
What is the InChIKey of 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is ZTDXWIOABUASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(10(14)15)8-4-2-1-3-7(8)5-6-9(11)13/h1-4,9,13H,5-6,12H2,(H,14,15).
What are the key properties of 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 68877054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).