2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate

C11H23NO6 — CID 114005284

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
SMILESCOCCOCCOCCOC(=O)[C@H](N)CCO
InChIInChI=1S/C11H23NO6/c1-15-4-5-16-6-7-17-8-9-18-11(14)10(12)2-3-13/h10,13H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyOFRKQOAJBBJGBQ-SNVBAGLBSA-N
MW265.31 g/mol
LogP-1.08
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate (PubChem CID 114005284) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
PubChem CID114005284
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
SMILESCOCCOCCOCCOC(=O)[C@H](N)CCO
InChIInChI=1S/C11H23NO6/c1-15-4-5-16-6-7-17-8-9-18-11(14)10(12)2-3-13/h10,13H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyOFRKQOAJBBJGBQ-SNVBAGLBSA-N
XLogP-1.08
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663
2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
CID 162501240
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
CID 156687732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate (CID 114005284) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate is COCCOCCOCCOC(=O)[C@H](N)CCO.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate?
The InChIKey is OFRKQOAJBBJGBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO6/c1-15-4-5-16-6-7-17-8-9-18-11(14)10(12)2-3-13/h10,13H,2-9,12H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate has a molecular weight of 265.31 g/mol, XLogP of -1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 114005284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).