methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate

C15H20N2O3 — CID 126202627

IUPACmethyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1Cc2cc(C)c(C)cc2C1
InChIInChI=1S/C15H20N2O3/c1-10-4-12-7-17(8-13(12)5-11(10)2)9-14(18)16-6-15(19)20-3/h4-5H,6-9H2,1-3H3,(H,16,18)
InChIKeyUOPWOLQLTHIRQI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate

methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate (PubChem CID 126202627) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate
PubChem CID126202627
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1Cc2cc(C)c(C)cc2C1
InChIInChI=1S/C15H20N2O3/c1-10-4-12-7-17(8-13(12)5-11(10)2)9-14(18)16-6-15(19)20-3/h4-5H,6-9H2,1-3H3,(H,16,18)
InChIKeyUOPWOLQLTHIRQI-UHFFFAOYSA-N
XLogP0.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
ethyl 4-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]-2-hydroxybenzoate
CID 126208090
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 101433212
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
2-[2-(cyanomethylamino)-2-oxoethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999972
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate
CID 122233963
methyl 2-(5,11,17,25-tetratert-butyl-27,28,29,30-tetrahydroxy-21-azapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9(29),10,12,15(28),16,18,23,25-dodecaen-21-yl)acetate
CID 10865535
methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 19520968
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
CID 8993438
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate (CID 126202627) is methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate is COC(=O)CNC(=O)CN1Cc2cc(C)c(C)cc2C1.
What is the InChIKey of methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate?
The InChIKey is UOPWOLQLTHIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-12-7-17(8-13(12)5-11(10)2)9-14(18)16-6-15(19)20-3/h4-5H,6-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate?
methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate is sourced from PubChem (CID 126202627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).