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

C10H14N2O4S — CID 43355104

IUPAC4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NCCCC(=O)O
InChIInChI=1S/C10H14N2O4S/c1-7-6-17-10(16)12(7)5-8(13)11-4-2-3-9(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyGATGZCVMGKSBGN-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.20
Rot. Bonds6

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

4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 43355104) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID43355104
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NCCCC(=O)O
InChIInChI=1S/C10H14N2O4S/c1-7-6-17-10(16)12(7)5-8(13)11-4-2-3-9(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyGATGZCVMGKSBGN-UHFFFAOYSA-N
XLogP0.20
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoate
CID 37827476
5-Amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
CID 43171960
4-[Methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]butanoic acid
CID 43172432
4-[Methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43172434
6-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 43352937
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 43353475
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353481
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43354048
3-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43354053
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetic acid
CID 43354497
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43354501
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43354844

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (CID 43355104) is 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is Cc1csc(=O)n1CC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is GATGZCVMGKSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-6-17-10(16)12(7)5-8(13)11-4-2-3-9(14)15/h6H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43355104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).