4-(acetyloxyamino)-4-oxobutanoic acid

C6H9NO5 — CID 139972378

IUPAC4-(acetyloxyamino)-4-oxobutanoic acid
SMILESCC(=O)ONC(=O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)12-7-5(9)2-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyBXMMJXLRWMQBDF-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.55
Rot. Bonds3

About 4-(acetyloxyamino)-4-oxobutanoic acid

4-(acetyloxyamino)-4-oxobutanoic acid (PubChem CID 139972378) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-(acetyloxyamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(acetyloxyamino)-4-oxobutanoic acid
PubChem CID139972378
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name4-(acetyloxyamino)-4-oxobutanoic acid
SMILESCC(=O)ONC(=O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)12-7-5(9)2-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyBXMMJXLRWMQBDF-UHFFFAOYSA-N
XLogP-0.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(acetyloxyamino)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
butanedioic acid;ethaneperoxoic acid
CID 160919533
acetamide;butanedioic acid
CID 175267619
4-[2,2-bis(methylsulfonyl)ethoxyamino]-4-oxobutanoic acid
CID 174958379
4-(carbamoylperoxyamino)-4-oxobutanoic acid
CID 19094886
tert-butyl 8-(acetyloxyamino)-8-oxooctanoate
CID 164589367
6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid
CID 174808609
bis(butanedioic acid);hydroxylamine
CID 174855273
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);iminosilane
CID 174936954

Frequently Asked Questions

What is the IUPAC name of 4-(acetyloxyamino)-4-oxobutanoic acid?
The IUPAC name of 4-(acetyloxyamino)-4-oxobutanoic acid (CID 139972378) is 4-(acetyloxyamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(acetyloxyamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(acetyloxyamino)-4-oxobutanoic acid is CC(=O)ONC(=O)CCC(=O)O.
What is the InChIKey of 4-(acetyloxyamino)-4-oxobutanoic acid?
The InChIKey is BXMMJXLRWMQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-4(8)12-7-5(9)2-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 4-(acetyloxyamino)-4-oxobutanoic acid?
4-(acetyloxyamino)-4-oxobutanoic acid has a molecular weight of 175.14 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetyloxyamino)-4-oxobutanoic acid is sourced from PubChem (CID 139972378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).