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

C12H17N3O5S — CID 43357150

IUPAC4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-7-6-21-12(20)15(7)4-2-3-10(17)14-8(11(18)19)5-9(13)16/h6,8H,2-5H2,1H3,(H2,13,16)(H,14,17)(H,18,19)
InChIKeyVYUXTVKSCFTPED-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.56
Rot. Bonds8

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

4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid (PubChem CID 43357150) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid
PubChem CID43357150
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-7-6-21-12(20)15(7)4-2-3-10(17)14-8(11(18)19)5-9(13)16/h6,8H,2-5H2,1H3,(H2,13,16)(H,14,17)(H,18,19)
InChIKeyVYUXTVKSCFTPED-UHFFFAOYSA-N
XLogP-0.56
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43171222
4-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43353316
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
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43354844
4-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43355099
4-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43355104
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43355363
4-Amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 43357156

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid (CID 43357150) is 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid is Cc1csc(=O)n1CCCC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid?
The InChIKey is VYUXTVKSCFTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-7-6-21-12(20)15(7)4-2-3-10(17)14-8(11(18)19)5-9(13)16/h6,8H,2-5H2,1H3,(H2,13,16)(H,14,17)(H,18,19).
What are the key properties of 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid?
4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid has a molecular weight of 315.35 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43357150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).