4-[methoxy(methyl)amino]-4-oxobutanoic acid

C6H11NO4 — CID 43627689

IUPAC4-[methoxy(methyl)amino]-4-oxobutanoic acid
SMILESCON(C)C(=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(11-2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyLTSSMLPKCUSFMA-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.13
Rot. Bonds4

About 4-[methoxy(methyl)amino]-4-oxobutanoic acid

4-[methoxy(methyl)amino]-4-oxobutanoic acid (PubChem CID 43627689) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-[methoxy(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methoxy(methyl)amino]-4-oxobutanoic acid
PubChem CID43627689
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-[methoxy(methyl)amino]-4-oxobutanoic acid
SMILESCON(C)C(=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(11-2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyLTSSMLPKCUSFMA-UHFFFAOYSA-N
XLogP-0.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
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-[methoxy(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[methoxy(methyl)amino]-4-oxobutanoic acid (CID 43627689) is 4-[methoxy(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[methoxy(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[methoxy(methyl)amino]-4-oxobutanoic acid is CON(C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[methoxy(methyl)amino]-4-oxobutanoic acid?
The InChIKey is LTSSMLPKCUSFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7(11-2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-[methoxy(methyl)amino]-4-oxobutanoic acid?
4-[methoxy(methyl)amino]-4-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43627689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).