ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate

C10H21NO4 — CID 104552544

IUPACethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCN(C)C(C)CO
InChIInChI=1S/C10H21NO4/c1-4-15-10(13)8-14-6-5-11(3)9(2)7-12/h9,12H,4-8H2,1-3H3
InChIKeyZYHWJWJDZJVFRT-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.12
Rot. Bonds8

About ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate

ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate (PubChem CID 104552544) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
PubChem CID104552544
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCN(C)C(C)CO
InChIInChI=1S/C10H21NO4/c1-4-15-10(13)8-14-6-5-11(3)9(2)7-12/h9,12H,4-8H2,1-3H3
InChIKeyZYHWJWJDZJVFRT-UHFFFAOYSA-N
XLogP-0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.12
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-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
CID 20553419
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
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ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 2-(2,3-dihydroxypropoxy)acetate
CID 57225948
ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552494
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate (CID 104552544) is ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate is CCOC(=O)COCCN(C)C(C)CO.
What is the InChIKey of ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate?
The InChIKey is ZYHWJWJDZJVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-15-10(13)8-14-6-5-11(3)9(2)7-12/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate?
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate has a molecular weight of 219.28 g/mol, XLogP of -0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate is sourced from PubChem (CID 104552544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).