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

C11H22N2O4 — CID 54871563

IUPACethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(N)CC
InChIInChI=1S/C11H22N2O4/c1-4-9(12)11(15)13(6-7-16-3)8-10(14)17-5-2/h9H,4-8,12H2,1-3H3
InChIKeyJUGMCDNOGGDUHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.24
Rot. Bonds8

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

ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate (PubChem CID 54871563) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
PubChem CID54871563
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(N)CC
InChIInChI=1S/C11H22N2O4/c1-4-9(12)11(15)13(6-7-16-3)8-10(14)17-5-2/h9H,4-8,12H2,1-3H3
InChIKeyJUGMCDNOGGDUHU-UHFFFAOYSA-N
XLogP-0.24
TPSA81.86 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 ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate (CID 54871563) is ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C(N)CC.
What is the InChIKey of ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate?
The InChIKey is JUGMCDNOGGDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-9(12)11(15)13(6-7-16-3)8-10(14)17-5-2/h9H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate?
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 54871563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).