2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate

C10H21NO4 — CID 103178278

IUPAC2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCCOCCCOC
InChIInChI=1S/C10H21NO4/c1-9(11-2)10(12)15-8-7-14-6-4-5-13-3/h9,11H,4-8H2,1-3H3
InChIKeyMTOHHCJSXCZTHL-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.19
Rot. Bonds9

About 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate

2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate (PubChem CID 103178278) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
PubChem CID103178278
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCCOCCCOC
InChIInChI=1S/C10H21NO4/c1-9(11-2)10(12)15-8-7-14-6-4-5-13-3/h9,11H,4-8H2,1-3H3
InChIKeyMTOHHCJSXCZTHL-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.19
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

2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
CID 103403540
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431
2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
CID 59345980

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate (CID 103178278) is 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate is CNC(C)C(=O)OCCOCCCOC.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate?
The InChIKey is MTOHHCJSXCZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(11-2)10(12)15-8-7-14-6-4-5-13-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate?
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate is sourced from PubChem (CID 103178278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).