3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate

C15H23NO5 — CID 103403094

IUPAC3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCOCCOCCCOC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO5/c1-19-9-10-20-7-2-8-21-15(18)14(16)11-12-3-5-13(17)6-4-12/h3-6,14,17H,2,7-11,16H2,1H3/t14-/m1/s1
InChIKeySTOCGOGSWYNVEO-CQSZACIVSA-N
MW297.35 g/mol
LogP0.86
Rot. Bonds10

About 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate

3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 103403094) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID103403094
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCOCCOCCCOC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO5/c1-19-9-10-20-7-2-8-21-15(18)14(16)11-12-3-5-13(17)6-4-12/h3-6,14,17H,2,7-11,16H2,1H3/t14-/m1/s1
InChIKeySTOCGOGSWYNVEO-CQSZACIVSA-N
XLogP0.86
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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alpha-Methyl-p-tyrosine
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D-Tyrosine
CID 71098
Melevodopa
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3,5-Diiodotyrosine
CID 6181
(2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate
CID 6971033

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 103403094) is 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate is COCCOCCCOC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is STOCGOGSWYNVEO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO5/c1-19-9-10-20-7-2-8-21-15(18)14(16)11-12-3-5-13(17)6-4-12/h3-6,14,17H,2,7-11,16H2,1H3/t14-/m1/s1.
What are the key properties of 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 297.35 g/mol, XLogP of 0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 103403094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).