5-(ethoxyamino)-3-methyl-5-oxopentanoic acid

C8H15NO4 — CID 64974046

IUPAC5-(ethoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-9-7(10)4-6(2)5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXWEQOEWHEGYUGF-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.56
Rot. Bonds6

About 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid

5-(ethoxyamino)-3-methyl-5-oxopentanoic acid (PubChem CID 64974046) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(ethoxyamino)-3-methyl-5-oxopentanoic acid
PubChem CID64974046
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-(ethoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-9-7(10)4-6(2)5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXWEQOEWHEGYUGF-UHFFFAOYSA-N
XLogP0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.56
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 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid (CID 64974046) is 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid is CCONC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is XWEQOEWHEGYUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-9-7(10)4-6(2)5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid?
5-(ethoxyamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxyamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 64974046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).