(2R)-2-amino-3-sulfanylpropaneperoxoic acid

C3H7NO3S — CID 91512911

IUPAC(2R)-2-amino-3-sulfanylpropaneperoxoic acid
SMILESN[C@@H](CS)C(=O)OO
InChIInChI=1S/C3H7NO3S/c4-2(1-8)3(5)7-6/h2,6,8H,1,4H2/t2-/m0/s1
InChIKeyLYODBTWWQKGPJK-REOHCLBHSA-N
MW137.16 g/mol
LogP-0.74
Rot. Bonds2

About (2R)-2-amino-3-sulfanylpropaneperoxoic acid

(2R)-2-amino-3-sulfanylpropaneperoxoic acid (PubChem CID 91512911) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropaneperoxoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropaneperoxoic acid
PubChem CID91512911
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name(2R)-2-amino-3-sulfanylpropaneperoxoic acid
SMILESN[C@@H](CS)C(=O)OO
InChIInChI=1S/C3H7NO3S/c4-2(1-8)3(5)7-6/h2,6,8H,1,4H2/t2-/m0/s1
InChIKeyLYODBTWWQKGPJK-REOHCLBHSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.74
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
bis[(2R)-2-amino-3-sulfanylpropanoyl] propanedioate
CID 57148534
2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
CID 102382707
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-amino-3-sulfanylpropanoic acid
CID 21459566
[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
CID 101477503
acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
CID 175665124
bis(2-amino-3-sulfanylpropanoyl) 2-aminobutanedioate
CID 76504245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropaneperoxoic acid?
The IUPAC name of (2R)-2-amino-3-sulfanylpropaneperoxoic acid (CID 91512911) is (2R)-2-amino-3-sulfanylpropaneperoxoic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropaneperoxoic acid?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropaneperoxoic acid is N[C@@H](CS)C(=O)OO.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropaneperoxoic acid?
The InChIKey is LYODBTWWQKGPJK-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO3S/c4-2(1-8)3(5)7-6/h2,6,8H,1,4H2/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropaneperoxoic acid?
(2R)-2-amino-3-sulfanylpropaneperoxoic acid has a molecular weight of 137.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropaneperoxoic acid is sourced from PubChem (CID 91512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).