methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C11H14N2O2 — CID 99908919

IUPACmethyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc(N)ccc2CN1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-5-8-4-9(12)3-2-7(8)6-13-10/h2-4,10,13H,5-6,12H2,1H3/t10-/m1/s1
InChIKeyXGLHSRWBNAKIEJ-SNVBAGLBSA-N
MW206.24 g/mol
LogP0.46
Rot. Bonds1

About methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (PubChem CID 99908919) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
PubChem CID99908919
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc(N)ccc2CN1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-5-8-4-9(12)3-2-7(8)6-13-10/h2-4,10,13H,5-6,12H2,1H3/t10-/m1/s1
InChIKeyXGLHSRWBNAKIEJ-SNVBAGLBSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl (3R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684475
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
benzyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684368
methyl (3S)-7-hydroxy-8-iodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684443
methyl (1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 139840356
benzyl (3S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 27282144
2-methylpropyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 13044270
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 7201454
methyl 6-chloro-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-3-carboxylate
CID 160617582

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The IUPAC name of methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CID 99908919) is methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
What is the SMILES notation for methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The canonical SMILES for methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is COC(=O)[C@H]1Cc2cc(N)ccc2CN1.
What is the InChIKey of methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The InChIKey is XGLHSRWBNAKIEJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-5-8-4-9(12)3-2-7(8)6-13-10/h2-4,10,13H,5-6,12H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is sourced from PubChem (CID 99908919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).