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

C13H17NO2 — CID 66351408

IUPAC1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(N)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-13(2)7-9(12(15)16)11(14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyLJTUXXZGTAYECI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds1

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

1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 66351408) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID66351408
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(N)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-13(2)7-9(12(15)16)11(14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyLJTUXXZGTAYECI-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid (CID 66351408) is 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid is CC1(C)CC(C(=O)O)C(N)c2ccccc21.
What is the InChIKey of 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is LJTUXXZGTAYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)7-9(12(15)16)11(14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 66351408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).