[methyl(4-oxobutanoyl)amino] acetate

C7H11NO4 — CID 88954808

IUPAC[methyl(4-oxobutanoyl)amino] acetate
SMILESCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C7H11NO4/c1-6(10)12-8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3
InChIKeyGYPYMRUHKFHMTJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.10
Rot. Bonds3

About [methyl(4-oxobutanoyl)amino] acetate

[methyl(4-oxobutanoyl)amino] acetate (PubChem CID 88954808) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] acetate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] acetate
PubChem CID88954808
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name[methyl(4-oxobutanoyl)amino] acetate
SMILESCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C7H11NO4/c1-6(10)12-8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3
InChIKeyGYPYMRUHKFHMTJ-UHFFFAOYSA-N
XLogP-0.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[Methyl(4-oxobutanoyl)amino] 2,2,2-trifluoroacetate
CID 145576281
N-methoxy-N-methyl-4-oxobutanamide
CID 16043543
N-hydroxy-N-methyl-4-oxobutanamide
CID 53707816
[Butanoyl(formyl)amino] acetate
CID 89134926
N-methyl-4-oxo-N-propoxybutanamide
CID 130192100
N-ethoxy-N-methyl-4-oxobutanamide
CID 130192260
[Methyl(4-oxobutanoyl)amino] carbamate
CID 132081063
[Methyl(4-oxobutanoyl)amino] butanoate
CID 138509618
[Methyl(4-oxobutanoyl)amino] pent-4-ynoate
CID 138751668
[Methyl(4-oxobutanoyl)amino] formate
CID 142314404
Ethane;[methyl(4-oxobutanoyl)amino] propanoate
CID 142408894
[Methyl(4-oxobutanoyl)amino] propanoate
CID 142408895

Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] acetate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] acetate (CID 88954808) is [methyl(4-oxobutanoyl)amino] acetate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] acetate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] acetate is CC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] acetate?
The InChIKey is GYPYMRUHKFHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-6(10)12-8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3.
What are the key properties of [methyl(4-oxobutanoyl)amino] acetate?
[methyl(4-oxobutanoyl)amino] acetate has a molecular weight of 173.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] acetate is sourced from PubChem (CID 88954808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).