methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate

C11H22N2O4 — CID 65475175

IUPACmethyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
SMILESCCN(CCOC)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-5-13(6-7-16-3)8-10(11(15)17-4)12-9(2)14/h10H,5-8H2,1-4H3,(H,12,14)
InChIKeyLRPNPDGFILYNNX-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.37
Rot. Bonds8

About methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate

methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate (PubChem CID 65475175) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
PubChem CID65475175
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
SMILESCCN(CCOC)CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-5-13(6-7-16-3)8-10(11(15)17-4)12-9(2)14/h10H,5-8H2,1-4H3,(H,12,14)
InChIKeyLRPNPDGFILYNNX-UHFFFAOYSA-N
XLogP-0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate (CID 65475175) is methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate is CCN(CCOC)CC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate?
The InChIKey is LRPNPDGFILYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-13(6-7-16-3)8-10(11(15)17-4)12-9(2)14/h10H,5-8H2,1-4H3,(H,12,14).
What are the key properties of methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate?
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate has a molecular weight of 246.31 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 65475175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).