methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate

C14H19NO6 — CID 107689507

IUPACmethyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1c(O)cccc1O
InChIInChI=1S/C14H19NO6/c1-20-9-8-15(7-6-12(18)21-2)14(19)13-10(16)4-3-5-11(13)17/h3-5,16-17H,6-9H2,1-2H3
InChIKeyZVHVSZGVJFECQM-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.75
Rot. Bonds7

About methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 107689507) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
PubChem CID107689507
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namemethyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1c(O)cccc1O
InChIInChI=1S/C14H19NO6/c1-20-9-8-15(7-6-12(18)21-2)14(19)13-10(16)4-3-5-11(13)17/h3-5,16-17H,6-9H2,1-2H3
InChIKeyZVHVSZGVJFECQM-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

methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate (CID 107689507) is methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1c(O)cccc1O.
What is the InChIKey of methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is ZVHVSZGVJFECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-20-9-8-15(7-6-12(18)21-2)14(19)13-10(16)4-3-5-11(13)17/h3-5,16-17H,6-9H2,1-2H3.
What are the key properties of methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate 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 methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 107689507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).