3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid

C7H10N2O3S — CID 740822

IUPAC3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
SMILESCN1C(=O)[C@@H](CCC(=O)O)NC1=S
InChIInChI=1S/C7H10N2O3S/c1-9-6(12)4(8-7(9)13)2-3-5(10)11/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1
InChIKeyHYVAOARZLXSLLL-SCSAIBSYSA-N
MW202.23 g/mol
LogP-0.43
Rot. Bonds3

About 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid

3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid (PubChem CID 740822) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
PubChem CID740822
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
SMILESCN1C(=O)[C@@H](CCC(=O)O)NC1=S
InChIInChI=1S/C7H10N2O3S/c1-9-6(12)4(8-7(9)13)2-3-5(10)11/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1
InChIKeyHYVAOARZLXSLLL-SCSAIBSYSA-N
XLogP-0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid (CID 740822) is 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid is CN1C(=O)[C@@H](CCC(=O)O)NC1=S.
What is the InChIKey of 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid?
The InChIKey is HYVAOARZLXSLLL-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-9-6(12)4(8-7(9)13)2-3-5(10)11/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1.
What are the key properties of 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid?
3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 740822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).