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

C11H23NO4 — CID 103403485

IUPAC3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCCCOCCOC
InChIInChI=1S/C11H23NO4/c1-4-11(2,12)10(13)16-7-5-6-15-9-8-14-3/h4-9,12H2,1-3H3
InChIKeyAGNKZJUBIGWJLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.71
Rot. Bonds9

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

3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate (PubChem CID 103403485) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
PubChem CID103403485
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCCCOCCOC
InChIInChI=1S/C11H23NO4/c1-4-11(2,12)10(13)16-7-5-6-15-9-8-14-3/h4-9,12H2,1-3H3
InChIKeyAGNKZJUBIGWJLJ-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
octyl 2-amino-2-methylbutanoate
CID 79798177
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
hexyl (2S)-2-amino-2-methylbutanoate;hydrochloride
CID 162724688
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
3-methoxypropyl 3-amino-2,2,3-trimethylbutanoate
CID 65266255
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate
CID 140829607
2-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylhexanamide
CID 104565103

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate (CID 103403485) is 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCCCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate?
The InChIKey is AGNKZJUBIGWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-11(2,12)10(13)16-7-5-6-15-9-8-14-3/h4-9,12H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate?
3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate has a molecular weight of 233.31 g/mol, XLogP of 0.71, 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 2-amino-2-methylbutanoate is sourced from PubChem (CID 103403485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).