ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate

C14H29NO4 — CID 123774440

IUPACethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate
SMILESCCOC(=O)CNCCC(C)(C)OCC(C)(C)OC
InChIInChI=1S/C14H29NO4/c1-7-18-12(16)10-15-9-8-13(2,3)19-11-14(4,5)17-6/h15H,7-11H2,1-6H3
InChIKeyYWYJOLZJAALXKH-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.75
Rot. Bonds10

About ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate

ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate (PubChem CID 123774440) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate
PubChem CID123774440
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate
SMILESCCOC(=O)CNCCC(C)(C)OCC(C)(C)OC
InChIInChI=1S/C14H29NO4/c1-7-18-12(16)10-15-9-8-13(2,3)19-11-14(4,5)17-6/h15H,7-11H2,1-6H3
InChIKeyYWYJOLZJAALXKH-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate (CID 123774440) is ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate is CCOC(=O)CNCCC(C)(C)OCC(C)(C)OC.
What is the InChIKey of ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate?
The InChIKey is YWYJOLZJAALXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-7-18-12(16)10-15-9-8-13(2,3)19-11-14(4,5)17-6/h15H,7-11H2,1-6H3.
What are the key properties of ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate?
ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate has a molecular weight of 275.39 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]amino]acetate is sourced from PubChem (CID 123774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).