(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid

C6H10NO5PS — CID 154634481

IUPAC(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)CCC#P=O)C(=O)O
InChIInChI=1S/C6H10NO5PS/c1-5(6(8)9)7-14(11,12)4-2-3-13-10/h5,7H,2,4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyKQWPLTNPKHEDDQ-RXMQYKEDSA-N
MW239.19 g/mol
LogP0.02
Rot. Bonds5

About (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid

(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid (PubChem CID 154634481) has the molecular formula C6H10NO5PS and a molecular weight of 239.19 g/mol. Its IUPAC name is (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid
PubChem CID154634481
Molecular FormulaC6H10NO5PS
Molecular Weight239.19 g/mol
Exact Mass239.00
IUPAC Name(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)CCC#P=O)C(=O)O
InChIInChI=1S/C6H10NO5PS/c1-5(6(8)9)7-14(11,12)4-2-3-13-10/h5,7H,2,4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyKQWPLTNPKHEDDQ-RXMQYKEDSA-N
XLogP0.02
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid (CID 154634481) is (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)CCC#P=O)C(=O)O.
What is the InChIKey of (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid?
The InChIKey is KQWPLTNPKHEDDQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10NO5PS/c1-5(6(8)9)7-14(11,12)4-2-3-13-10/h5,7H,2,4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid?
(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid has a molecular weight of 239.19 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid is sourced from PubChem (CID 154634481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).