(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid

C8H16N2O4S — CID 91225784

IUPAC(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid
SMILESCC(C)(N)C(=O)ON[C@@](C)(CS)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-7(2,9)6(13)14-10-8(3,4-15)5(11)12/h10,15H,4,9H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyPSEWXEIMPMOBLJ-QMMMGPOBSA-N
MW236.29 g/mol
LogP-0.46
Rot. Bonds5

About (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid

(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid (PubChem CID 91225784) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid
PubChem CID91225784
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid
SMILESCC(C)(N)C(=O)ON[C@@](C)(CS)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-7(2,9)6(13)14-10-8(3,4-15)5(11)12/h10,15H,4,9H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyPSEWXEIMPMOBLJ-QMMMGPOBSA-N
XLogP-0.46
TPSA101.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid (CID 91225784) is (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid is CC(C)(N)C(=O)ON[C@@](C)(CS)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid?
The InChIKey is PSEWXEIMPMOBLJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-7(2,9)6(13)14-10-8(3,4-15)5(11)12/h10,15H,4,9H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid?
(2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-methylpropanoyl)oxyamino]-2-methyl-3-sulfanylpropanoic acid is sourced from PubChem (CID 91225784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).