3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate

C11H23NO4 — CID 103403540

IUPAC3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
SMILESCOCCOCCCOC(=O)C(C)C(C)N
InChIInChI=1S/C11H23NO4/c1-9(10(2)12)11(13)16-6-4-5-15-8-7-14-3/h9-10H,4-8,12H2,1-3H3
InChIKeyYJDXPOCMEBJVAD-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.57
Rot. Bonds9

About 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate

3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate (PubChem CID 103403540) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
PubChem CID103403540
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
SMILESCOCCOCCCOC(=O)C(C)C(C)N
InChIInChI=1S/C11H23NO4/c1-9(10(2)12)11(13)16-6-4-5-15-8-7-14-3/h9-10H,4-8,12H2,1-3H3
InChIKeyYJDXPOCMEBJVAD-UHFFFAOYSA-N
XLogP0.57
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.57
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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Related Compounds

3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
CID 101278877
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate (CID 103403540) is 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate is COCCOCCCOC(=O)C(C)C(C)N.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate?
The InChIKey is YJDXPOCMEBJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(10(2)12)11(13)16-6-4-5-15-8-7-14-3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate?
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate has a molecular weight of 233.31 g/mol, XLogP of 0.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate is sourced from PubChem (CID 103403540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).