ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate

C12H24N2O4 — CID 79804892

IUPACethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(C)(N)CC
InChIInChI=1S/C12H24N2O4/c1-5-12(3,13)11(16)14(7-8-17-4)9-10(15)18-6-2/h5-9,13H2,1-4H3
InChIKeyZEVGJROBACBTJV-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.15
Rot. Bonds8

About ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 79804892) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
PubChem CID79804892
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(C)(N)CC
InChIInChI=1S/C12H24N2O4/c1-5-12(3,13)11(16)14(7-8-17-4)9-10(15)18-6-2/h5-9,13H2,1-4H3
InChIKeyZEVGJROBACBTJV-UHFFFAOYSA-N
XLogP0.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate (CID 79804892) is ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C(C)(N)CC.
What is the InChIKey of ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is ZEVGJROBACBTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-12(3,13)11(16)14(7-8-17-4)9-10(15)18-6-2/h5-9,13H2,1-4H3.
What are the key properties of ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 260.33 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 79804892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).