tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate

C11H23NO4 — CID 170151294

IUPACtert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate
SMILESCC(N)(CO)COCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(14)5-6-15-8-11(4,12)7-13/h13H,5-8,12H2,1-4H3
InChIKeyJYTSRKZOCXLWTM-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.44
Rot. Bonds6

About tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate

tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate (PubChem CID 170151294) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate
PubChem CID170151294
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate
SMILESCC(N)(CO)COCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(14)5-6-15-8-11(4,12)7-13/h13H,5-8,12H2,1-4H3
InChIKeyJYTSRKZOCXLWTM-UHFFFAOYSA-N
XLogP0.44
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 11813332
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-(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
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-1-ol
CID 113427544
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoic acid
CID 160933856
tert-butyl 3-[2-(2-hydroxyethoxymethyl)-2-(methylamino)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
CID 166534434
tert-butyl 3-(3-methoxypropoxy)propanoate
CID 116659194
tert-butyl 3-(2-methylsulfanylethoxy)propanoate
CID 134423942
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate?
The IUPAC name of tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate (CID 170151294) is tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate?
The canonical SMILES for tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate is CC(N)(CO)COCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate?
The InChIKey is JYTSRKZOCXLWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2,3)16-9(14)5-6-15-8-11(4,12)7-13/h13H,5-8,12H2,1-4H3.
What are the key properties of tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate?
tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate has a molecular weight of 233.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate is sourced from PubChem (CID 170151294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).