4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C10H19NO4 — CID 64973970

IUPAC4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCONC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-15-11-8(12)6-10(4,7(2)3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyVZKIHQHUEFBUGZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.19
Rot. Bonds6

About 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 64973970) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID64973970
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCONC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-15-11-8(12)6-10(4,7(2)3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyVZKIHQHUEFBUGZ-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.19
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 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 64973970) is 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCONC(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is VZKIHQHUEFBUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-15-11-8(12)6-10(4,7(2)3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 64973970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).