3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid

C5H10NO5PS — CID 67224298

IUPAC3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1CP(=O)(O)O
InChIInChI=1S/C5H10NO5PS/c7-5(8)4-6(1-2-13-4)3-12(9,10)11/h4H,1-3H2,(H,7,8)(H2,9,10,11)
InChIKeyQUXXGEVWOSMCLO-UHFFFAOYSA-N
MW227.18 g/mol
LogP-0.42
Rot. Bonds3

About 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid

3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid (PubChem CID 67224298) has the molecular formula C5H10NO5PS and a molecular weight of 227.18 g/mol. Its IUPAC name is 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid
PubChem CID67224298
Molecular FormulaC5H10NO5PS
Molecular Weight227.18 g/mol
Exact Mass227.00
IUPAC Name3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1SCCN1CP(=O)(O)O
InChIInChI=1S/C5H10NO5PS/c7-5(8)4-6(1-2-13-4)3-12(9,10)11/h4H,1-3H2,(H,7,8)(H2,9,10,11)
InChIKeyQUXXGEVWOSMCLO-UHFFFAOYSA-N
XLogP-0.42
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
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 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid (CID 67224298) is 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid is O=C(O)C1SCCN1CP(=O)(O)O.
What is the InChIKey of 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is QUXXGEVWOSMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO5PS/c7-5(8)4-6(1-2-13-4)3-12(9,10)11/h4H,1-3H2,(H,7,8)(H2,9,10,11).
What are the key properties of 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid?
3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 227.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phosphonomethyl)-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 67224298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).