methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate

C9H19NO3 — CID 106939453

IUPACmethyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
SMILESCNCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)12-4)7-13-6-5-10-3/h10H,5-7H2,1-4H3
InChIKeyBJWSOGUJXMVFQA-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.42
Rot. Bonds6

About methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate

methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate (PubChem CID 106939453) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
PubChem CID106939453
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
SMILESCNCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)12-4)7-13-6-5-10-3/h10H,5-7H2,1-4H3
InChIKeyBJWSOGUJXMVFQA-UHFFFAOYSA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
CID 126602178
N-methyl-2-[2-(methylamino)ethoxy]acetamide
CID 54595045
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate (CID 106939453) is methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate is CNCCOCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate?
The InChIKey is BJWSOGUJXMVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,8(11)12-4)7-13-6-5-10-3/h10H,5-7H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate?
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate is sourced from PubChem (CID 106939453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).