tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate

C13H27NO5 — CID 156780297

IUPACtert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
SMILESCCOCCOC(N)COCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO5/c1-5-16-8-9-18-11(14)10-17-7-6-12(15)19-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyKOPQWYRLWFYDJB-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.07
Rot. Bonds10

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

tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate (PubChem CID 156780297) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
PubChem CID156780297
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Nametert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
SMILESCCOCCOC(N)COCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO5/c1-5-16-8-9-18-11(14)10-17-7-6-12(15)19-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyKOPQWYRLWFYDJB-UHFFFAOYSA-N
XLogP1.07
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 89312273
3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 154205178
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-[2,3-bis[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
CID 89312256
butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 166810956
tert-butyl 3-[2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethoxy]propanoate
CID 146409994
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 5-(2-aminoethoxy)-4-ethoxypentanoate
CID 175563215
tert-butyl pentanoate;hydrazine
CID 174371267

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate (CID 156780297) is tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate is CCOCCOC(N)COCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate?
The InChIKey is KOPQWYRLWFYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-5-16-8-9-18-11(14)10-17-7-6-12(15)19-13(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate?
tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate has a molecular weight of 277.36 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 156780297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).