(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid

C7H11NO6 — CID 141485136

IUPAC(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
SMILESCC(=O)OOC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C7H11NO6/c1-4(9)13-14-7(12)5(8)2-3-6(10)11/h5H,2-3,8H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyKNOYGBFPFYFKAQ-RXMQYKEDSA-N
MW205.17 g/mol
LogP-0.80
Rot. Bonds4

About (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid

(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid (PubChem CID 141485136) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
PubChem CID141485136
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
SMILESCC(=O)OOC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C7H11NO6/c1-4(9)13-14-7(12)5(8)2-3-6(10)11/h5H,2-3,8H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyKNOYGBFPFYFKAQ-RXMQYKEDSA-N
XLogP-0.80
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
CID 156963467
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
4-amino-5-oxo-5-(2-oxopropanoyloxy)pentanoic acid
CID 19065649
(2S)-2-aminopentanedioic acid;ethyl acetate
CID 159299141
(4S)-5-[acetyloxy(hydroxy)phosphoryl]oxy-4-amino-5-oxopentanoic acid
CID 54167976
(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
CID 163711224
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid
CID 88870224
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212

Frequently Asked Questions

What is the IUPAC name of (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid?
The IUPAC name of (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid (CID 141485136) is (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid is CC(=O)OOC(=O)[C@H](N)CCC(=O)O.
What is the InChIKey of (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid?
The InChIKey is KNOYGBFPFYFKAQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO6/c1-4(9)13-14-7(12)5(8)2-3-6(10)11/h5H,2-3,8H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid?
(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid has a molecular weight of 205.17 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid is sourced from PubChem (CID 141485136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).