2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid

C11H21NO5 — CID 62818599

IUPAC2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)COCCOC)C(C)(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-5-12(11(2,3)10(14)15)9(13)8-17-7-6-16-4/h5-8H2,1-4H3,(H,14,15)
InChIKeyDDCNGIHWLYSJAG-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.36
Rot. Bonds8

About 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62818599) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
PubChem CID62818599
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)COCCOC)C(C)(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-5-12(11(2,3)10(14)15)9(13)8-17-7-6-16-4/h5-8H2,1-4H3,(H,14,15)
InChIKeyDDCNGIHWLYSJAG-UHFFFAOYSA-N
XLogP0.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid (CID 62818599) is 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid is CCN(C(=O)COCCOC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is DDCNGIHWLYSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5-12(11(2,3)10(14)15)9(13)8-17-7-6-16-4/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).