3-(ethoxyamino)-2-methylbutanoic acid

C7H15NO3 — CID 79397544

IUPAC3-(ethoxyamino)-2-methylbutanoic acid
SMILESCCONC(C)C(C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4-11-8-6(3)5(2)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyBSTOKEUCFWKLDT-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.64
Rot. Bonds5

About 3-(ethoxyamino)-2-methylbutanoic acid

3-(ethoxyamino)-2-methylbutanoic acid (PubChem CID 79397544) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(ethoxyamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(ethoxyamino)-2-methylbutanoic acid
PubChem CID79397544
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-(ethoxyamino)-2-methylbutanoic acid
SMILESCCONC(C)C(C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4-11-8-6(3)5(2)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyBSTOKEUCFWKLDT-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxyamino)-2-methylbutanoic acid?
The IUPAC name of 3-(ethoxyamino)-2-methylbutanoic acid (CID 79397544) is 3-(ethoxyamino)-2-methylbutanoic acid.
What is the SMILES notation for 3-(ethoxyamino)-2-methylbutanoic acid?
The canonical SMILES for 3-(ethoxyamino)-2-methylbutanoic acid is CCONC(C)C(C)C(=O)O.
What is the InChIKey of 3-(ethoxyamino)-2-methylbutanoic acid?
The InChIKey is BSTOKEUCFWKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-8-6(3)5(2)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of 3-(ethoxyamino)-2-methylbutanoic acid?
3-(ethoxyamino)-2-methylbutanoic acid has a molecular weight of 161.20 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-(ethoxyamino)-2-methylbutanoic acid is sourced from PubChem (CID 79397544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).