methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate

C14H19NO4 — CID 115232427

IUPACmethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-15(6-5-14(16)17-2)10-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHGTGJTHUZDKZJI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds5

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

methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate (PubChem CID 115232427) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
PubChem CID115232427
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-15(6-5-14(16)17-2)10-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHGTGJTHUZDKZJI-UHFFFAOYSA-N
XLogP1.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl(methyl)amino]propanoic acid
CID 65063169
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoate
CID 43242662
methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate
CID 82350330
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]benzoate
CID 31380061
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 24589161
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate (CID 115232427) is methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate is COC(=O)CCN(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate?
The InChIKey is HGTGJTHUZDKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(6-5-14(16)17-2)10-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate?
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 115232427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).