2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C13H20N2O2S — CID 113369903

IUPAC2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NCC2CCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-13(2,11(16)17)10-8-18-12(15-10)14-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOZQQWWDVNYFOCW-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 113369903) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID113369903
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NCC2CCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-13(2,11(16)17)10-8-18-12(15-10)14-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOZQQWWDVNYFOCW-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369967
2-methyl-2-[2-(thiolan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 107298664
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
2-[2-[(1-methoxycyclobutyl)methylamino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 114121014
2-[2-(cyclobutylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 138673783
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
ethyl 2-methyl-2-[2-(thiolan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107298660
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
2-methyl-2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369963
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 113369903) is 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1csc(NCC2CCCC2)n1.
What is the InChIKey of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is OZQQWWDVNYFOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,11(16)17)10-8-18-12(15-10)14-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 268.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 113369903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).