ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate

C11H23NO4 — CID 103260351

IUPACethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(C)CO
InChIInChI=1S/C11H23NO4/c1-4-16-10(14)7-15-6-5-12-8-11(2,3)9-13/h12-13H,4-9H2,1-3H3
InChIKeyUXKZSLPGSQCBNR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.17
Rot. Bonds9

About ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate

ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate (PubChem CID 103260351) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
PubChem CID103260351
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(C)CO
InChIInChI=1S/C11H23NO4/c1-4-16-10(14)7-15-6-5-12-8-11(2,3)9-13/h12-13H,4-9H2,1-3H3
InChIKeyUXKZSLPGSQCBNR-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
CID 103263560
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
ethyl 2-[2-(4-methylsulfanylbutylamino)ethoxy]acetate
CID 103264028
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate (CID 103260351) is ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate is CCOC(=O)COCCNCC(C)(C)CO.
What is the InChIKey of ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate?
The InChIKey is UXKZSLPGSQCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-16-10(14)7-15-6-5-12-8-11(2,3)9-13/h12-13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate?
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate has a molecular weight of 233.31 g/mol, XLogP of 0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate is sourced from PubChem (CID 103260351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).