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

C13H18N2O4S — CID 82759878

IUPAC1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-8-7-20-12(19)15(8)6-10(16)14-9-4-3-5-13(9,2)11(17)18/h7,9H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFHOPVKRKENHFPQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.98
Rot. Bonds4

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

1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82759878) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82759878
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-8-7-20-12(19)15(8)6-10(16)14-9-4-3-5-13(9,2)11(17)18/h7,9H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFHOPVKRKENHFPQ-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 82759878) is 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1csc(=O)n1CC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FHOPVKRKENHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-7-20-12(19)15(8)6-10(16)14-9-4-3-5-13(9,2)11(17)18/h7,9H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).