ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate

C14H19NO6 — CID 103892104

IUPACethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO6/c1-3-21-13(18)9-15(4-5-20-2)14(19)10-6-11(16)8-12(17)7-10/h6-8,16-17H,3-5,9H2,1-2H3
InChIKeyOILWRIVVEBYRJL-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.75
Rot. Bonds7

About ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 103892104) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
PubChem CID103892104
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO6/c1-3-21-13(18)9-15(4-5-20-2)14(19)10-6-11(16)8-12(17)7-10/h6-8,16-17H,3-5,9H2,1-2H3
InChIKeyOILWRIVVEBYRJL-UHFFFAOYSA-N
XLogP0.75
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 450268
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CID 89025
Ethyl 2-[(3,5-dimethoxyphenyl)formamido]acetate
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Methyl 2-[(3,5-dimethoxyphenyl)formamido]acetate
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4-Morpholinegallic acid
CID 3047894
3-(Morpholine-4-carbonyl)phenol
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8-(3,5-Dihydroxybenzamido)octanoic acid
CID 10827694
methyl (2R)-2-[(3,5-dihydroxybenzoyl)amino]-3-pent-4-enylsulfanylpropanoate
CID 155513432
methyl (2R)-3-but-3-enylsulfanyl-2-[(3,5-dihydroxybenzoyl)amino]propanoate
CID 155541677
methyl (2R)-2-[(3,5-dihydroxybenzoyl)amino]-3-prop-2-enylsulfanylpropanoate
CID 155556800
Benzamide, 3,5-dihydroxy-N,N-diethyl-
CID 586470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate (CID 103892104) is ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is OILWRIVVEBYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-3-21-13(18)9-15(4-5-20-2)14(19)10-6-11(16)8-12(17)7-10/h6-8,16-17H,3-5,9H2,1-2H3.
What are the key properties of ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 297.31 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 103892104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).