2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid

C7H10N2O3S — CID 124676635

IUPAC2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCCN1C(=O)[C@@H](CC(=O)O)NC1=S
InChIInChI=1S/C7H10N2O3S/c1-2-9-6(12)4(3-5(10)11)8-7(9)13/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1
InChIKeyZZSWTUNRXFGVIO-SCSAIBSYSA-N
MW202.23 g/mol
LogP-0.43
Rot. Bonds3

About 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid

2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid (PubChem CID 124676635) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
PubChem CID124676635
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCCN1C(=O)[C@@H](CC(=O)O)NC1=S
InChIInChI=1S/C7H10N2O3S/c1-2-9-6(12)4(3-5(10)11)8-7(9)13/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1
InChIKeyZZSWTUNRXFGVIO-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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Related Compounds

2-[(4R)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676639
2-[(4R)-1-(2-methoxyethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676645
2-[(4S)-5-oxo-1-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676638
2-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 3033218
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
3-[1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid
CID 112757978
(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 740819
3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
CID 3487246
2-[[(4S)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]methylsulfanyl]acetic acid
CID 739266
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid (CID 124676635) is 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid is CCN1C(=O)[C@@H](CC(=O)O)NC1=S.
What is the InChIKey of 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The InChIKey is ZZSWTUNRXFGVIO-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-9-6(12)4(3-5(10)11)8-7(9)13/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m1/s1.
What are the key properties of 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid?
2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic 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 2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 124676635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).