ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate

C11H20N2O4 — CID 54900981

IUPACethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-5-13(7-10(15)17-6-2)11(16)8(3)12-9(4)14/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyIQAPZRPYVGKENU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.08
Rot. Bonds6

About ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate

ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate (PubChem CID 54900981) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
PubChem CID54900981
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-5-13(7-10(15)17-6-2)11(16)8(3)12-9(4)14/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyIQAPZRPYVGKENU-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-acetamido-N-ethyl-N-(2-hydroxyethyl)propanamide
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ethyl 2-[(2-acetamido-3-methylbutanoyl)-methylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate (CID 54900981) is ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate is CCOC(=O)CN(CC)C(=O)C(C)NC(C)=O.
What is the InChIKey of ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate?
The InChIKey is IQAPZRPYVGKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-5-13(7-10(15)17-6-2)11(16)8(3)12-9(4)14/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate?
ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate is sourced from PubChem (CID 54900981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).