3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid

C17H24N2O3S — CID 154845596

IUPAC3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1CC(CCC(=O)O)C1
InChIInChI=1S/C17H24N2O3S/c1-10-15(23-17(18-10)12-4-2-3-5-12)16(22)19-13-8-11(9-13)6-7-14(20)21/h11-13H,2-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyGMLKZADAVYKAGX-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.48
Rot. Bonds6

About 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid

3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid (PubChem CID 154845596) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
PubChem CID154845596
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1CC(CCC(=O)O)C1
InChIInChI=1S/C17H24N2O3S/c1-10-15(23-17(18-10)12-4-2-3-5-12)16(22)19-13-8-11(9-13)6-7-14(20)21/h11-13H,2-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyGMLKZADAVYKAGX-UHFFFAOYSA-N
XLogP3.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid?
The IUPAC name of 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid (CID 154845596) is 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid is Cc1nc(C2CCCC2)sc1C(=O)NC1CC(CCC(=O)O)C1.
What is the InChIKey of 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid?
The InChIKey is GMLKZADAVYKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-10-15(23-17(18-10)12-4-2-3-5-12)16(22)19-13-8-11(9-13)6-7-14(20)21/h11-13H,2-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid?
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid has a molecular weight of 336.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid is sourced from PubChem (CID 154845596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).