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

C10H13N3O5S — CID 43357156

IUPAC4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5-4-19-10(18)13(5)3-8(15)12-6(9(16)17)2-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyBQRLNMHFMHRAHG-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.34
Rot. Bonds6

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

4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 43357156) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid
PubChem CID43357156
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5-4-19-10(18)13(5)3-8(15)12-6(9(16)17)2-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyBQRLNMHFMHRAHG-UHFFFAOYSA-N
XLogP-1.34
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid (CID 43357156) is 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid is Cc1csc(=O)n1CC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is BQRLNMHFMHRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-5-4-19-10(18)13(5)3-8(15)12-6(9(16)17)2-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,12,15)(H,16,17).
What are the key properties of 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 287.30 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43357156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).