3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid

C10H19NO4 — CID 65261289

IUPAC3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCOCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,8(13)14)10(3,4)11-7(12)6-15-5/h6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyIUQSUVASWNSHMO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds5

About 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261289) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261289
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCOCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,8(13)14)10(3,4)11-7(12)6-15-5/h6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyIUQSUVASWNSHMO-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid (CID 65261289) is 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid is COCC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is IUQSUVASWNSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,8(13)14)10(3,4)11-7(12)6-15-5/h6H2,1-5H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).