5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid

C9H17NO5 — CID 82706467

IUPAC5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCOCCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C9H17NO5/c1-7(6-9(12)13)5-8(11)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKJDFDVDZJACAPK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.18
Rot. Bonds8

About 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid

5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid (PubChem CID 82706467) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid
PubChem CID82706467
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCOCCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C9H17NO5/c1-7(6-9(12)13)5-8(11)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKJDFDVDZJACAPK-UHFFFAOYSA-N
XLogP0.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid (CID 82706467) is 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid is COCCONC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is KJDFDVDZJACAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(6-9(12)13)5-8(11)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid?
5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxyamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 82706467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).