tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C14H27NO5 — CID 10017055

IUPACtert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)19-11(17)9-15(7-8-16)10-12(18)20-14(4,5)6/h16H,7-10H2,1-6H3
InChIKeyIUZTVXAUVUVCLI-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.96
Rot. Bonds6

About tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 10017055) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID10017055
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nametert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CN(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)19-11(17)9-15(7-8-16)10-12(18)20-14(4,5)6/h16H,7-10H2,1-6H3
InChIKeyIUZTVXAUVUVCLI-UHFFFAOYSA-N
XLogP0.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 10017055) is tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is CC(C)(C)OC(=O)CN(CCO)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is IUZTVXAUVUVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-13(2,3)19-11(17)9-15(7-8-16)10-12(18)20-14(4,5)6/h16H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 289.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-hydroxyethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 10017055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).