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

Name: Methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₉NO₆ — CID 103957989

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
PubChem CID	103957989
Molecular Formula	C₁₄H₁₉NO₆
Molecular Weight	297.31 g/mol
Exact Mass	297.12
IUPAC Name	methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
SMILES	COC(=O)C(O)CNC(=O)CCOc1ccc(OC)cc1
InChI	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)
InChIKey	HYJYDWJCSVNDIR-UHFFFAOYSA-N
XLogP	0.11
TPSA	94.09 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.31
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 103957989 — identifiers, structure, computed properties (public domain)

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