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

C14H20N2O4S — CID 43351049

IUPAC1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CCCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-13(20)16(10)8-4-5-11(17)15-14(12(18)19)6-2-3-7-14/h9H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyYPKJHMMQRAMWEK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.51
Rot. Bonds6

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

1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43351049) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43351049
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1csc(=O)n1CCCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-13(20)16(10)8-4-5-11(17)15-14(12(18)19)6-2-3-7-14/h9H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyYPKJHMMQRAMWEK-UHFFFAOYSA-N
XLogP1.51
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid (CID 43351049) is 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid is Cc1csc(=O)n1CCCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YPKJHMMQRAMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-21-13(20)16(10)8-4-5-11(17)15-14(12(18)19)6-2-3-7-14/h9H,2-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid?
1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).