(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid

C8H11N3O6S2 — CID 61141173

IUPAC(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H11N3O6S2/c1-3-7(18-8(15)10-3)19(16,17)11-4(6(13)14)2-5(9)12/h4,11H,2H2,1H3,(H2,9,12)(H,10,15)(H,13,14)/t4-/m0/s1
InChIKeyRTDDNHJEQZVATB-BYPYZUCNSA-N
MW309.33 g/mol
LogP-1.65
Rot. Bonds6

About (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 61141173) has the molecular formula C8H11N3O6S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
PubChem CID61141173
Molecular FormulaC8H11N3O6S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Name(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H11N3O6S2/c1-3-7(18-8(15)10-3)19(16,17)11-4(6(13)14)2-5(9)12/h4,11H,2H2,1H3,(H2,9,12)(H,10,15)(H,13,14)/t4-/m0/s1
InChIKeyRTDDNHJEQZVATB-BYPYZUCNSA-N
XLogP-1.65
TPSA159.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 93263803
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
N-(1-aminobutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65193791
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
(2S)-4-amino-4-oxo-2-(propan-2-ylsulfonylamino)butanoic acid
CID 63715580
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61141616
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid (CID 61141173) is (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is RTDDNHJEQZVATB-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11N3O6S2/c1-3-7(18-8(15)10-3)19(16,17)11-4(6(13)14)2-5(9)12/h4,11H,2H2,1H3,(H2,9,12)(H,10,15)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 309.33 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61141173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).