2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid

C10H20N2O4 — CID 64580938

IUPAC2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
SMILESCCN(CCOC)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(5-6-16-3)7-9(10(14)15)11-8(2)13/h9H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyIQVZTWAZBINASE-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.46
Rot. Bonds8

About 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid

2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid (PubChem CID 64580938) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
PubChem CID64580938
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
SMILESCCN(CCOC)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(5-6-16-3)7-9(10(14)15)11-8(2)13/h9H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyIQVZTWAZBINASE-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid (CID 64580938) is 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid is CCN(CCOC)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid?
The InChIKey is IQVZTWAZBINASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-12(5-6-16-3)7-9(10(14)15)11-8(2)13/h9H,4-7H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid?
2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid is sourced from PubChem (CID 64580938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).