methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

C11H14N2O2 — CID 154145371

IUPACmethyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1C(N)NCC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-2-3-7-5-6-13-10(12)9(7)8/h2-4,10,13H,5-6,12H2,1H3
InChIKeyHRTLJFARXANOIB-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.58
Rot. Bonds1

About methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate (PubChem CID 154145371) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
PubChem CID154145371
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1C(N)NCC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-2-3-7-5-6-13-10(12)9(7)8/h2-4,10,13H,5-6,12H2,1H3
InChIKeyHRTLJFARXANOIB-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 105477375
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 134459797
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
CID 117110564
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalene-1-carboxylate
CID 134834052
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The IUPAC name of methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate (CID 154145371) is methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate.
What is the SMILES notation for methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The canonical SMILES for methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate is COC(=O)c1cccc2c1C(N)NCC2.
What is the InChIKey of methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The InChIKey is HRTLJFARXANOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)8-4-2-3-7-5-6-13-10(12)9(7)8/h2-4,10,13H,5-6,12H2,1H3.
What are the key properties of methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate is sourced from PubChem (CID 154145371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).