methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate

C9H19NO4 — CID 62010681

IUPACmethyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCOCCO
InChIInChI=1S/C9H19NO4/c1-10(4-3-9(12)13-2)5-7-14-8-6-11/h11H,3-8H2,1-2H3
InChIKeyMGRXCSKWZAQQLI-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.51
Rot. Bonds8

About methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate

methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate (PubChem CID 62010681) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
PubChem CID62010681
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Namemethyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCOCCO
InChIInChI=1S/C9H19NO4/c1-10(4-3-9(12)13-2)5-7-14-8-6-11/h11H,3-8H2,1-2H3
InChIKeyMGRXCSKWZAQQLI-UHFFFAOYSA-N
XLogP-0.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.51
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 methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate?
The IUPAC name of methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate (CID 62010681) is methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate is COC(=O)CCN(C)CCOCCO.
What is the InChIKey of methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate?
The InChIKey is MGRXCSKWZAQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-10(4-3-9(12)13-2)5-7-14-8-6-11/h11H,3-8H2,1-2H3.
What are the key properties of methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate?
methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate has a molecular weight of 205.25 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate is sourced from PubChem (CID 62010681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).