methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate

C12H15NO4 — CID 115232740

IUPACmethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO4/c1-13(8-12(14)15-2)9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHSUXTBGPVBFCKC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate

methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate (PubChem CID 115232740) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
PubChem CID115232740
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO4/c1-13(8-12(14)15-2)9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHSUXTBGPVBFCKC-UHFFFAOYSA-N
XLogP1.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylsulfanylphenyl)sulfonylamino]acetate
CID 100518601
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate
CID 115232732
1-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(methyl)amino]-2-methylpropan-2-ol
CID 115136845

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate (CID 115232740) is methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate is COC(=O)CN(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate?
The InChIKey is HSUXTBGPVBFCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(8-12(14)15-2)9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate?
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate has a molecular weight of 237.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate is sourced from PubChem (CID 115232740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).