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

C16H22N2O3 — CID 60963908

IUPACmethyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O3/c1-11(16(20)21-3)10-18(2)15(19)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyRAMFVSDEOLDDKZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.97
Rot. Bonds4

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

methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate (PubChem CID 60963908) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
PubChem CID60963908
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O3/c1-11(16(20)21-3)10-18(2)15(19)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyRAMFVSDEOLDDKZ-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Praziquantel
CID 4891
Quinapril
CID 54892
Quinaprilat
CID 107994
Arpraziquantel
CID 445900
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
VU 0357017 Hydrochloride
CID 25010775
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 40466957
Praziquantel, (S)-
CID 1917817
2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-4-methyl-1-oxopentyl]-1,2,3,4-tetrahydroisoquinoline
CID 11494684
(2S)-2-amino-2-cyclohexyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CID 23646027
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate (CID 60963908) is methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1Cc2ccccc2CN1.
What is the InChIKey of methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate?
The InChIKey is RAMFVSDEOLDDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(16(20)21-3)10-18(2)15(19)14-8-12-6-4-5-7-13(12)9-17-14/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate has a molecular weight of 290.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 60963908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).