methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

C13H17NO3 — CID 58467113

IUPACmethyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(N)CCc2cccc(OC)c2C1
InChIInChI=1S/C13H17NO3/c1-16-11-5-3-4-9-6-7-13(14,8-10(9)11)12(15)17-2/h3-5H,6-8,14H2,1-2H3
InChIKeyVIVBVHRJMLLDOK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.05
Rot. Bonds2

About methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 58467113) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID58467113
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(N)CCc2cccc(OC)c2C1
InChIInChI=1S/C13H17NO3/c1-16-11-5-3-4-9-6-7-13(14,8-10(9)11)12(15)17-2/h3-5H,6-8,14H2,1-2H3
InChIKeyVIVBVHRJMLLDOK-UHFFFAOYSA-N
XLogP1.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate 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

methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 11161407
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
methyl (2S)-2-amino-8-[2-[(5R,7S,10R,16S)-14-[2-[[(7S)-7-amino-7-methoxycarbonyl-6,8-dihydro-5H-naphthalen-1-yl]oxy]benzoyl]-7,16-dimethyl-6,9,15,18-tetraoxo-4,8,14,17-tetrazadispiro[4.4.410.45]octadecane-4-carbonyl]phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 139654380
1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
[(2S)-2-benzamido-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl] methyl carbonate
CID 67636605
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 58467113) is methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1(N)CCc2cccc(OC)c2C1.
What is the InChIKey of methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is VIVBVHRJMLLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-5-3-4-9-6-7-13(14,8-10(9)11)12(15)17-2/h3-5H,6-8,14H2,1-2H3.
What are the key properties of methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 58467113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).