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

C12H18N2O5S — CID 43353737

IUPAC3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H18N2O5S/c1-7-6-20-12(19)14(7)5-3-4-9(16)13-10(8(2)15)11(17)18/h6,8,10,15H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQFUROSPRVVVOOB-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.05
Rot. Bonds7

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

3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid (PubChem CID 43353737) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
PubChem CID43353737
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H18N2O5S/c1-7-6-20-12(19)14(7)5-3-4-9(16)13-10(8(2)15)11(17)18/h6,8,10,15H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQFUROSPRVVVOOB-UHFFFAOYSA-N
XLogP-0.05
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid (CID 43353737) is 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid is Cc1csc(=O)n1CCCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid?
The InChIKey is QFUROSPRVVVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-7-6-20-12(19)14(7)5-3-4-9(16)13-10(8(2)15)11(17)18/h6,8,10,15H,3-5H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid?
3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid has a molecular weight of 302.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid is sourced from PubChem (CID 43353737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).