ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate

C11H21NO4 — CID 103265115

IUPACethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1(C)CCOC1
InChIInChI=1S/C11H21NO4/c1-3-16-10(13)8-14-7-5-12-11(2)4-6-15-9-11/h12H,3-9H2,1-2H3
InChIKeyYXVLTCXNHUVYNG-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds7

About ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate

ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate (PubChem CID 103265115) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate
PubChem CID103265115
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1(C)CCOC1
InChIInChI=1S/C11H21NO4/c1-3-16-10(13)8-14-7-5-12-11(2)4-6-15-9-11/h12H,3-9H2,1-2H3
InChIKeyYXVLTCXNHUVYNG-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.33
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-[(1-methylcyclohexyl)amino]ethoxy]acetate
CID 103244836
ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
CID 114143694
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
1-ethoxy-3-(3-methyloxolan-3-yl)urea
CID 130615932
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate
CID 103256601
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 114493671
2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
CID 165466861
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
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-methyloxolan-3-yl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate (CID 103265115) is ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate is CCOC(=O)COCCNC1(C)CCOC1.
What is the InChIKey of ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate?
The InChIKey is YXVLTCXNHUVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-16-10(13)8-14-7-5-12-11(2)4-6-15-9-11/h12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate?
ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate is sourced from PubChem (CID 103265115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).