methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate

C14H19NO6 — CID 103957989

IUPACmethyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(O)CNC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H19NO6/c1-19-10-3-5-11(6-4-10)21-8-7-13(17)15-9-12(16)14(18)20-2/h3-6,12,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyHYJYDWJCSVNDIR-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.11
Rot. Bonds8

About methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate

methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate (PubChem CID 103957989) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
PubChem CID103957989
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namemethyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(O)CNC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H19NO6/c1-19-10-3-5-11(6-4-10)21-8-7-13(17)15-9-12(16)14(18)20-2/h3-6,12,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyHYJYDWJCSVNDIR-UHFFFAOYSA-N
XLogP0.11
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
CID 103958083
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate (CID 103957989) is methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate is COC(=O)C(O)CNC(=O)CCOc1ccc(OC)cc1.
What is the InChIKey of methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate?
The InChIKey is HYJYDWJCSVNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-19-10-3-5-11(6-4-10)21-8-7-13(17)15-9-12(16)14(18)20-2/h3-6,12,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate?
methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate has a molecular weight of 297.31 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate is sourced from PubChem (CID 103957989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).