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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1R)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid
CID 96722457
4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007144
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
CID 120873256
6,6-dimethyl-4-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f][1,4]benzothiazine-2-carboxylic acid
CID 65171062
2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82079114
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
5,13,13-trimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
CID 3570913
pentacyclo[9.6.0.01,4.05,10.012,17]heptadeca-5,7,9,12,14,16-hexaene-3-carboxylic acid
CID 148621381
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483746

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).