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

C12H16N2O4S — CID 43351066

IUPAC1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-11(18)14(8)6-9(15)13-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWYQRUOPWECENKS-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.73
Rot. Bonds4

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

1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351066) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351066
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-11(18)14(8)6-9(15)13-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWYQRUOPWECENKS-UHFFFAOYSA-N
XLogP0.73
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43351066) is 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WYQRUOPWECENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-7-19-11(18)14(8)6-9(15)13-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).