2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C12H15NO3 — CID 13186882

IUPAC2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CCC(N)(C(=O)O)C2
InChIInChI=1S/C12H15NO3/c1-16-10-3-2-9-7-12(13,11(14)15)5-4-8(9)6-10/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyRTQYWHRDCDMIRH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 13186882) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID13186882
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CCC(N)(C(=O)O)C2
InChIInChI=1S/C12H15NO3/c1-16-10-3-2-9-7-12(13,11(14)15)5-4-8(9)6-10/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyRTQYWHRDCDMIRH-UHFFFAOYSA-N
XLogP0.97
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 13186882) is 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1ccc2c(c1)CCC(N)(C(=O)O)C2.
What is the InChIKey of 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is RTQYWHRDCDMIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-10-3-2-9-7-12(13,11(14)15)5-4-8(9)6-10/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 13186882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).