4-(carbamoylperoxyamino)-4-oxobutanoic acid

C5H8N2O6 — CID 19094886

IUPAC4-(carbamoylperoxyamino)-4-oxobutanoic acid
SMILESNC(=O)OONC(=O)CCC(=O)O
InChIInChI=1S/C5H8N2O6/c6-5(11)12-13-7-3(8)1-2-4(9)10/h1-2H2,(H2,6,11)(H,7,8)(H,9,10)
InChIKeyMAOGFYYVQDFAAC-UHFFFAOYSA-N
MW192.13 g/mol
LogP-1.09
Rot. Bonds5

About 4-(carbamoylperoxyamino)-4-oxobutanoic acid

4-(carbamoylperoxyamino)-4-oxobutanoic acid (PubChem CID 19094886) has the molecular formula C5H8N2O6 and a molecular weight of 192.13 g/mol. Its IUPAC name is 4-(carbamoylperoxyamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(carbamoylperoxyamino)-4-oxobutanoic acid
PubChem CID19094886
Molecular FormulaC5H8N2O6
Molecular Weight192.13 g/mol
Exact Mass192.04
IUPAC Name4-(carbamoylperoxyamino)-4-oxobutanoic acid
SMILESNC(=O)OONC(=O)CCC(=O)O
InChIInChI=1S/C5H8N2O6/c6-5(11)12-13-7-3(8)1-2-4(9)10/h1-2H2,(H2,6,11)(H,7,8)(H,9,10)
InChIKeyMAOGFYYVQDFAAC-UHFFFAOYSA-N
XLogP-1.09
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylperoxyamino)-4-oxobutanoic acid?
The IUPAC name of 4-(carbamoylperoxyamino)-4-oxobutanoic acid (CID 19094886) is 4-(carbamoylperoxyamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(carbamoylperoxyamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(carbamoylperoxyamino)-4-oxobutanoic acid is NC(=O)OONC(=O)CCC(=O)O.
What is the InChIKey of 4-(carbamoylperoxyamino)-4-oxobutanoic acid?
The InChIKey is MAOGFYYVQDFAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O6/c6-5(11)12-13-7-3(8)1-2-4(9)10/h1-2H2,(H2,6,11)(H,7,8)(H,9,10).
What are the key properties of 4-(carbamoylperoxyamino)-4-oxobutanoic acid?
4-(carbamoylperoxyamino)-4-oxobutanoic acid has a molecular weight of 192.13 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylperoxyamino)-4-oxobutanoic acid is sourced from PubChem (CID 19094886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).