(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid

C5H8NO3PS — CID 122584871

IUPAC(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid
SMILESO=C1C[P@](S)C[C@@H](C(=O)O)N1
InChIInChI=1S/C5H8NO3PS/c7-4-2-10(11)1-3(6-4)5(8)9/h3,11H,1-2H2,(H,6,7)(H,8,9)/t3-,10+/m0/s1
InChIKeyONSJWPJMIMTXLB-ILMLOSMKSA-N
MW193.16 g/mol
LogP-0.10
Rot. Bonds1

About (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid

(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid (PubChem CID 122584871) has the molecular formula C5H8NO3PS and a molecular weight of 193.16 g/mol. Its IUPAC name is (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid
PubChem CID122584871
Molecular FormulaC5H8NO3PS
Molecular Weight193.16 g/mol
Exact Mass193.00
IUPAC Name(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid
SMILESO=C1C[P@](S)C[C@@H](C(=O)O)N1
InChIInChI=1S/C5H8NO3PS/c7-4-2-10(11)1-3(6-4)5(8)9/h3,11H,1-2H2,(H,6,7)(H,8,9)/t3-,10+/m0/s1
InChIKeyONSJWPJMIMTXLB-ILMLOSMKSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid?
The IUPAC name of (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid (CID 122584871) is (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid?
The canonical SMILES for (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid is O=C1C[P@](S)C[C@@H](C(=O)O)N1.
What is the InChIKey of (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid?
The InChIKey is ONSJWPJMIMTXLB-ILMLOSMKSA-N. The full InChI is InChI=1S/C5H8NO3PS/c7-4-2-10(11)1-3(6-4)5(8)9/h3,11H,1-2H2,(H,6,7)(H,8,9)/t3-,10+/m0/s1.
What are the key properties of (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid?
(2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-oxo-4-sulfanyl-1,4-azaphosphinane-2-carboxylic acid is sourced from PubChem (CID 122584871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).