3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

C10H14N2O5S — CID 43353743

IUPAC3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H14N2O5S/c1-5-4-18-10(17)12(5)3-7(14)11-8(6(2)13)9(15)16/h4,6,8,13H,3H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyKCMRNXQCUXLGBI-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.83
Rot. Bonds5

About 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 43353743) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID43353743
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H14N2O5S/c1-5-4-18-10(17)12(5)3-7(14)11-8(6(2)13)9(15)16/h4,6,8,13H,3H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyKCMRNXQCUXLGBI-UHFFFAOYSA-N
XLogP-0.83
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-aminopropanoyl]amino]-3-hydroxybutanoic acid
CID 24861824
3-Hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43171669
3-Hydroxy-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 43211003
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353481
3-Hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43353581
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43353737
3-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43354053
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43357807
Methyl 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
CID 43407185
Methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 43408761
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43469441

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (CID 43353743) is 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is Cc1csc(=O)n1CC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is KCMRNXQCUXLGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-5-4-18-10(17)12(5)3-7(14)11-8(6(2)13)9(15)16/h4,6,8,13H,3H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43353743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).