ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate

C12H25NO4 — CID 103254023

IUPACethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(COC)C(C)C
InChIInChI=1S/C12H25NO4/c1-5-17-12(14)9-16-7-6-13-11(8-15-4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYALMSIFGPWUABK-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.83
Rot. Bonds10

About ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate

ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate (PubChem CID 103254023) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
PubChem CID103254023
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(COC)C(C)C
InChIInChI=1S/C12H25NO4/c1-5-17-12(14)9-16-7-6-13-11(8-15-4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYALMSIFGPWUABK-UHFFFAOYSA-N
XLogP0.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
CID 103247488
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
CID 172843337
CID 172843337
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
CID 116503368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate (CID 103254023) is ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate is CCOC(=O)COCCNC(COC)C(C)C.
What is the InChIKey of ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate?
The InChIKey is YALMSIFGPWUABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-17-12(14)9-16-7-6-13-11(8-15-4)10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate?
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate has a molecular weight of 247.33 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate is sourced from PubChem (CID 103254023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).