(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid

C6H11NO6S — CID 87765062

IUPAC(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
SMILESCS(=O)(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO6S/c1-14(11,12)13-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyJGGUYEXCYBYBLF-BYPYZUCNSA-N
MW225.22 g/mol
LogP-1.32
Rot. Bonds5

About (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid

(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid (PubChem CID 87765062) has the molecular formula C6H11NO6S and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
PubChem CID87765062
Molecular FormulaC6H11NO6S
Molecular Weight225.22 g/mol
Exact Mass225.03
IUPAC Name(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
SMILESCS(=O)(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO6S/c1-14(11,12)13-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyJGGUYEXCYBYBLF-BYPYZUCNSA-N
XLogP-1.32
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
CID 54458839
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
CID 175519244
disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
CID 173377229
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
tetrasodium;tetrakis(2-[(4S)-4-amino-4-carboxybutanoyl]oxypropanedioic acid);hydride
CID 172999198
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid (CID 87765062) is (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid is CS(=O)(=O)OC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid?
The InChIKey is JGGUYEXCYBYBLF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO6S/c1-14(11,12)13-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid?
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid has a molecular weight of 225.22 g/mol, XLogP of -1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid is sourced from PubChem (CID 87765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).