tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate

C14H27NO5 — CID 91482180

IUPACtert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)19-11(16)9-15-7-8-18-10-12(17)20-14(4,5)6/h15H,7-10H2,1-6H3
InChIKeyGXLFPAZLUZORQE-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.28
Rot. Bonds7

About tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate

tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate (PubChem CID 91482180) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate
PubChem CID91482180
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nametert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate
SMILESCC(C)(C)OC(=O)CNCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)19-11(16)9-15-7-8-18-10-12(17)20-14(4,5)6/h15H,7-10H2,1-6H3
InChIKeyGXLFPAZLUZORQE-UHFFFAOYSA-N
XLogP1.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-((2-methoxyethyl)amino)acetate
CID 18925475
Methyl 2-((2-(tert-butoxy)-2-oxoethyl)amino)acetate
CID 21643695
H2N-PEG2-CH2COOtBu
CID 59397456
Ethyl {2-[(tert-butoxycarbonyl)amino]ethoxy}acetate
CID 15000284
Ethyl 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate
CID 15544430
Amino-PEG3-CH2CO2-t-butyl ester
CID 87214787
Tert-butyl 2-(azetidin-3-yloxy)acetate
CID 53419975
Fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate
CID 169191974
Ethyl(tert-butoxycarbonylmethylamino)acetate
CID 10921941
2-[2-(t-Butoxycarbonylamino)ethoxy]acetic acid t-butyl ester
CID 129837719
Tert-butyl 1,3-oxazinane-2-carboxylate
CID 138961428
Acetyloxy[[(1,1-dimethylethoxy)carbonyl]amino]acetic acid methyl ester
CID 10922855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate (CID 91482180) is tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate is CC(C)(C)OC(=O)CNCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate?
The InChIKey is GXLFPAZLUZORQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-13(2,3)19-11(16)9-15-7-8-18-10-12(17)20-14(4,5)6/h15H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate?
tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate has a molecular weight of 289.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethylamino]acetate is sourced from PubChem (CID 91482180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).