4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid

C11H20N2O6 — CID 156963467

IUPAC4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)OOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-6(2)9(13)11(17)19-18-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12-13H2,1-2H3,(H,14,15)
InChIKeySSROGDVMOUZAQN-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.45
Rot. Bonds7

About 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid

4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid (PubChem CID 156963467) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
PubChem CID156963467
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)OOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-6(2)9(13)11(17)19-18-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12-13H2,1-2H3,(H,14,15)
InChIKeySSROGDVMOUZAQN-UHFFFAOYSA-N
XLogP-0.45
TPSA141.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
CID 87257204
(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
CID 141485136
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
CID 174800417
bis(2-amino-3-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;bis(2-aminopentanedioic acid)
CID 175149891
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
4,6-diamino-5-oxooctanoic acid
CID 87431132
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid (CID 156963467) is 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid is CCC(C)C(N)C(=O)OOC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid?
The InChIKey is SSROGDVMOUZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-6(2)9(13)11(17)19-18-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12-13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid?
4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid is sourced from PubChem (CID 156963467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).