tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate

C10H19NO3 — CID 163848799

IUPACtert-butyl 3-[2-(methylideneamino)ethoxy]propanoate
SMILESC=NCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-7-13-8-6-11-4/h4-8H2,1-3H3
InChIKeyOSNOLYOHXNTJNX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.44
Rot. Bonds6

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

tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate (PubChem CID 163848799) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(methylideneamino)ethoxy]propanoate
PubChem CID163848799
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 3-[2-(methylideneamino)ethoxy]propanoate
SMILESC=NCCOCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-7-13-8-6-11-4/h4-8H2,1-3H3
InChIKeyOSNOLYOHXNTJNX-UHFFFAOYSA-N
XLogP1.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
imino-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium
CID 118988552
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 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoic acid
CID 160933856
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
tert-butyl 3-[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]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102514802
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-[2-(methylideneamino)ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate (CID 163848799) is tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate is C=NCCOCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate?
The InChIKey is OSNOLYOHXNTJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)5-7-13-8-6-11-4/h4-8H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate?
tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(methylideneamino)ethoxy]propanoate is sourced from PubChem (CID 163848799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).