methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate

C14H19NO4 — CID 54918112

IUPACmethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-4-15-14(2,13(16)17-3)10-5-6-11-12(9-10)19-8-7-18-11/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyGMUXDVCIULLDPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate

methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate (PubChem CID 54918112) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
PubChem CID54918112
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-4-15-14(2,13(16)17-3)10-5-6-11-12(9-10)19-8-7-18-11/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyGMUXDVCIULLDPY-UHFFFAOYSA-N
XLogP1.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719
2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
CID 60786055
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
CID 65233837
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)butanoate
CID 65235920
ethyl 2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)propanoate
CID 61002101
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoro-3-hydroxybutanoate
CID 62396774
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
2-(butan-2-ylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 61024544
methyl 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-2-methylbutanoate
CID 60786356

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate (CID 54918112) is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate is CCNC(C)(C(=O)OC)c1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate?
The InChIKey is GMUXDVCIULLDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15-14(2,13(16)17-3)10-5-6-11-12(9-10)19-8-7-18-11/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate?
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 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)-2-(ethylamino)propanoate is sourced from PubChem (CID 54918112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).