ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate

C14H19NO4 — CID 61498261

IUPACethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-17-14(16)10(2)15-9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeySRWWDIYFAIFVJF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds5

About ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate

ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate (PubChem CID 61498261) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
PubChem CID61498261
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-17-14(16)10(2)15-9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeySRWWDIYFAIFVJF-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoate
CID 94214206
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
ethyl 2-(1,3-benzodioxol-5-ylmethylamino)butanoate
CID 64668381
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylbutanoic acid
CID 120510601
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
CID 115672887
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
CID 62117418
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate (CID 61498261) is ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate is CCOC(=O)C(C)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate?
The InChIKey is SRWWDIYFAIFVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-17-14(16)10(2)15-9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate?
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate is sourced from PubChem (CID 61498261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).