(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid

C4H8N2O6S — CID 11356297

IUPAC(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O6S/c5-3(7)1-2(4(8)9)6-13(10,11)12/h2,6H,1H2,(H2,5,7)(H,8,9)(H,10,11,12)/t2-/m1/s1
InChIKeyFMYLKWAVCDZIHF-UWTATZPHSA-N
MW212.18 g/mol
LogP-2.29
Rot. Bonds5

About (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid

(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid (PubChem CID 11356297) has the molecular formula C4H8N2O6S and a molecular weight of 212.18 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
PubChem CID11356297
Molecular FormulaC4H8N2O6S
Molecular Weight212.18 g/mol
Exact Mass212.01
IUPAC Name(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O6S/c5-3(7)1-2(4(8)9)6-13(10,11)12/h2,6H,1H2,(H2,5,7)(H,8,9)(H,10,11,12)/t2-/m1/s1
InChIKeyFMYLKWAVCDZIHF-UWTATZPHSA-N
XLogP-2.29
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid (CID 11356297) is (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid is NC(=O)C[C@@H](NS(=O)(=O)O)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid?
The InChIKey is FMYLKWAVCDZIHF-UWTATZPHSA-N. The full InChI is InChI=1S/C4H8N2O6S/c5-3(7)1-2(4(8)9)6-13(10,11)12/h2,6H,1H2,(H2,5,7)(H,8,9)(H,10,11,12)/t2-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid?
(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid has a molecular weight of 212.18 g/mol, XLogP of -2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid is sourced from PubChem (CID 11356297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).