2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid

C14H22N2O4S — CID 65286010

IUPAC2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-9(13(18)19)5-4-6-10(2)15-12(17)7-16-11(3)8-21-14(16)20/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyGSWUWGIOXWRXTI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.61
Rot. Bonds8

About 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid

2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid (PubChem CID 65286010) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
PubChem CID65286010
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-9(13(18)19)5-4-6-10(2)15-12(17)7-16-11(3)8-21-14(16)20/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyGSWUWGIOXWRXTI-UHFFFAOYSA-N
XLogP1.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid (CID 65286010) is 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid is Cc1csc(=O)n1CC(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid?
The InChIKey is GSWUWGIOXWRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9(13(18)19)5-4-6-10(2)15-12(17)7-16-11(3)8-21-14(16)20/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid?
2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 65286010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).