methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C12H15NO2 — CID 11521576

IUPACmethyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(N)ccc2c1CCCC2
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h6-7H,2-5,13H2,1H3
InChIKeyLDYCAHXKKKWYHW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds1

About methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 11521576) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID11521576
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(N)ccc2c1CCCC2
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h6-7H,2-5,13H2,1H3
InChIKeyLDYCAHXKKKWYHW-UHFFFAOYSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13126292
methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 115018976
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690
methyl 2-amino-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
CID 83878869
methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11516375
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 147285912
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
methyl 2-amino-4,5,6,7-tetrahydroisoindole-1-carboxylate
CID 14104600
methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
methyl 6-amino-2,3-dichlorobenzoate;hydrochloride
CID 70564288
methyl 6-amino-2-fluoro-3-hydroxybenzoate
CID 84769545

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 11521576) is methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate is COC(=O)c1c(N)ccc2c1CCCC2.
What is the InChIKey of methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is LDYCAHXKKKWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h6-7H,2-5,13H2,1H3.
What are the key properties of methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 11521576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).