5-(carbamoylperoxyamino)-5-oxopentanoic acid

C6H10N2O6 — CID 19094884

IUPAC5-(carbamoylperoxyamino)-5-oxopentanoic acid
SMILESNC(=O)OONC(=O)CCCC(=O)O
InChIInChI=1S/C6H10N2O6/c7-6(12)13-14-8-4(9)2-1-3-5(10)11/h1-3H2,(H2,7,12)(H,8,9)(H,10,11)
InChIKeyTWWKINMHGGZDEW-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.70
Rot. Bonds6

About 5-(carbamoylperoxyamino)-5-oxopentanoic acid

5-(carbamoylperoxyamino)-5-oxopentanoic acid (PubChem CID 19094884) has the molecular formula C6H10N2O6 and a molecular weight of 206.15 g/mol. Its IUPAC name is 5-(carbamoylperoxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(carbamoylperoxyamino)-5-oxopentanoic acid
PubChem CID19094884
Molecular FormulaC6H10N2O6
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name5-(carbamoylperoxyamino)-5-oxopentanoic acid
SMILESNC(=O)OONC(=O)CCCC(=O)O
InChIInChI=1S/C6H10N2O6/c7-6(12)13-14-8-4(9)2-1-3-5(10)11/h1-3H2,(H2,7,12)(H,8,9)(H,10,11)
InChIKeyTWWKINMHGGZDEW-UHFFFAOYSA-N
XLogP-0.70
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.70
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 5-(carbamoylperoxyamino)-5-oxopentanoic acid?
The IUPAC name of 5-(carbamoylperoxyamino)-5-oxopentanoic acid (CID 19094884) is 5-(carbamoylperoxyamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(carbamoylperoxyamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(carbamoylperoxyamino)-5-oxopentanoic acid is NC(=O)OONC(=O)CCCC(=O)O.
What is the InChIKey of 5-(carbamoylperoxyamino)-5-oxopentanoic acid?
The InChIKey is TWWKINMHGGZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6/c7-6(12)13-14-8-4(9)2-1-3-5(10)11/h1-3H2,(H2,7,12)(H,8,9)(H,10,11).
What are the key properties of 5-(carbamoylperoxyamino)-5-oxopentanoic acid?
5-(carbamoylperoxyamino)-5-oxopentanoic acid has a molecular weight of 206.15 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylperoxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 19094884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).