(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid

C5H6N2O3S — CID 42586318

IUPAC(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid
SMILESCN1C(=O)[C@H](C(=O)O)NC1=S
InChIInChI=1S/C5H6N2O3S/c1-7-3(8)2(4(9)10)6-5(7)11/h2H,1H3,(H,6,11)(H,9,10)/t2-/m1/s1
InChIKeyYLGDQVFELLTYQW-UWTATZPHSA-N
MW174.18 g/mol
LogP-1.21
Rot. Bonds1

About (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid

(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid (PubChem CID 42586318) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid
PubChem CID42586318
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid
SMILESCN1C(=O)[C@H](C(=O)O)NC1=S
InChIInChI=1S/C5H6N2O3S/c1-7-3(8)2(4(9)10)6-5(7)11/h2H,1H3,(H,6,11)(H,9,10)/t2-/m1/s1
InChIKeyYLGDQVFELLTYQW-UWTATZPHSA-N
XLogP-1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
CID 3487246
(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 932985
3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoate
CID 4149053
(4aS,8aS)-3-methyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one
CID 7859195
2-[(4R)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676639
5-chloro-3-methylimidazolidine-2,4-dione
CID 70418919
2-oxopiperazine-1,3-dicarboxylic acid
CID 150152273
6-tert-butyl-4-methyl-3-sulfanylidene-1,2,4-triazinan-5-one
CID 13377186
2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676635
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
N,N,3,4-tetramethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 18079465

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid?
The IUPAC name of (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid (CID 42586318) is (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid is CN1C(=O)[C@H](C(=O)O)NC1=S.
What is the InChIKey of (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid?
The InChIKey is YLGDQVFELLTYQW-UWTATZPHSA-N. The full InChI is InChI=1S/C5H6N2O3S/c1-7-3(8)2(4(9)10)6-5(7)11/h2H,1H3,(H,6,11)(H,9,10)/t2-/m1/s1.
What are the key properties of (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid?
(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid has a molecular weight of 174.18 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid is sourced from PubChem (CID 42586318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).