3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid

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

C₁₄H₁₉NO₆ — CID 43353625

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

IUPAC3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid

SMILESCOc1ccc(OC(C)C(=O)NC(C(=O)O)C(C)O)cc1

InChIInChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19)

InChIKeyOVIXLXZVILHDEQ-UHFFFAOYSA-N

MW297.31 g/mol

LogP0.41

Rot. Bonds7

About 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid

3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (PubChem CID 43353625) has the molecular formula C₁₄H₁₉NO₆ and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name	3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
PubChem CID	43353625
Molecular Formula	C₁₄H₁₉NO₆
Molecular Weight	297.31 g/mol
Exact Mass	297.12
IUPAC Name	3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
SMILES	COc1ccc(OC(C)C(=O)NC(C(=O)O)C(C)O)cc1
InChI	InChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19)
InChIKey	OVIXLXZVILHDEQ-UHFFFAOYSA-N
XLogP	0.41
TPSA	105.09 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.31
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?

The IUPAC name of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid (CID 43353625) is 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid.

What is the SMILES notation for 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?

The canonical SMILES for 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is COc1ccc(OC(C)C(=O)NC(C(=O)O)C(C)O)cc1.

What is the InChIKey of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?

The InChIKey is OVIXLXZVILHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-8(16)12(14(18)19)15-13(17)9(2)21-11-6-4-10(20-3)5-7-11/h4-9,12,16H,1-3H3,(H,15,17)(H,18,19).

What are the key properties of 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid?

3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 43353625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 43353625 — identifiers, structure, computed properties (public domain)

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