tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate

C15H31NO4 — CID 178163461

IUPACtert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate
SMILESCC(C)(C)OC(=O)CCOC(C)(C)COC(C)(C)CN
InChIInChI=1S/C15H31NO4/c1-13(2,3)20-12(17)8-9-18-15(6,7)11-19-14(4,5)10-16/h8-11,16H2,1-7H3
InChIKeyCMJCSWVOBSMFEC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.27
Rot. Bonds8

About tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate

tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate (PubChem CID 178163461) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate.

Molecular Properties

Compound Nametert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate
PubChem CID178163461
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Nametert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate
SMILESCC(C)(C)OC(=O)CCOC(C)(C)COC(C)(C)CN
InChIInChI=1S/C15H31NO4/c1-13(2,3)20-12(17)8-9-18-15(6,7)11-19-14(4,5)10-16/h8-11,16H2,1-7H3
InChIKeyCMJCSWVOBSMFEC-UHFFFAOYSA-N
XLogP2.27
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
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
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
CID 175396016
tert-butyl 3-[3-[2-(aminomethyl)-2-methylbutoxy]-2,2-dimethylpropoxy]propanoate
CID 134423956
ditert-butyl pentanedioate
CID 3016405
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate
CID 170151294
tert-butyl 3-[2-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 11813332

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate?
The IUPAC name of tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate (CID 178163461) is tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate.
What is the SMILES notation for tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate?
The canonical SMILES for tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate is CC(C)(C)OC(=O)CCOC(C)(C)COC(C)(C)CN.
What is the InChIKey of tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate?
The InChIKey is CMJCSWVOBSMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-13(2,3)20-12(17)8-9-18-15(6,7)11-19-14(4,5)10-16/h8-11,16H2,1-7H3.
What are the key properties of tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate?
tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate has a molecular weight of 289.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate is sourced from PubChem (CID 178163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).