methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate

C14H18N2O3 — CID 110489154

IUPACmethyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C14H18N2O3/c1-16(9-13(17)19-2)14(18)11-5-3-4-10-6-7-15-8-12(10)11/h3-5,15H,6-9H2,1-2H3
InChIKeyUYTHBHLBPIVBCZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate

methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate (PubChem CID 110489154) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
PubChem CID110489154
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C14H18N2O3/c1-16(9-13(17)19-2)14(18)11-5-3-4-10-6-7-15-8-12(10)11/h3-5,15H,6-9H2,1-2H3
InChIKeyUYTHBHLBPIVBCZ-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489140
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate (CID 110489154) is methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cccc2c1CNCC2.
What is the InChIKey of methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate?
The InChIKey is UYTHBHLBPIVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(9-13(17)19-2)14(18)11-5-3-4-10-6-7-15-8-12(10)11/h3-5,15H,6-9H2,1-2H3.
What are the key properties of methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate?
methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate is sourced from PubChem (CID 110489154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).