tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate

C13H27NO4 — CID 14833119

IUPACtert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
SMILESCN(C)CCOCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-13(2,3)18-12(15)6-8-16-10-11-17-9-7-14(4)5/h6-11H2,1-5H3
InChIKeyMFSFZFMZLWXUQE-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.31
Rot. Bonds9

About tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate

tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate (PubChem CID 14833119) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
PubChem CID14833119
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
SMILESCN(C)CCOCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-13(2,3)18-12(15)6-8-16-10-11-17-9-7-14(4)5/h6-11H2,1-5H3
InChIKeyMFSFZFMZLWXUQE-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 137334038
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[3-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 163296941
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102514802
tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
CID 90134163
tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132133
tert-butyl 3-[2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 131709282

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate (CID 14833119) is tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate is CN(C)CCOCCOCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate?
The InChIKey is MFSFZFMZLWXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-13(2,3)18-12(15)6-8-16-10-11-17-9-7-14(4)5/h6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate?
tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate has a molecular weight of 261.36 g/mol, XLogP of 1.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 14833119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).