3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid

C13H18N2O3S — CID 18682327

IUPAC3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCC(=O)NC1(c2ncc(CCC(=O)O)s2)CCCC1
InChIInChI=1S/C13H18N2O3S/c1-9(16)15-13(6-2-3-7-13)12-14-8-10(19-12)4-5-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyCBFFCJHGRPBNHW-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.07
Rot. Bonds5

About 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid

3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 18682327) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID18682327
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCC(=O)NC1(c2ncc(CCC(=O)O)s2)CCCC1
InChIInChI=1S/C13H18N2O3S/c1-9(16)15-13(6-2-3-7-13)12-14-8-10(19-12)4-5-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyCBFFCJHGRPBNHW-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic 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 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid (CID 18682327) is 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid is CC(=O)NC1(c2ncc(CCC(=O)O)s2)CCCC1.
What is the InChIKey of 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is CBFFCJHGRPBNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(16)15-13(6-2-3-7-13)12-14-8-10(19-12)4-5-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid?
3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 18682327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).