2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid

C12H19N3O4S — CID 62061909

IUPAC2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
SMILESCc1nc(S(=O)(=O)N(CC(=O)O)C2CCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-11(7-14(9)2)20(18,19)15(8-12(16)17)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNVADRKWNYOKEHP-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.75
Rot. Bonds5

About 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid

2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid (PubChem CID 62061909) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
PubChem CID62061909
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
SMILESCc1nc(S(=O)(=O)N(CC(=O)O)C2CCCC2)cn1C
InChIInChI=1S/C12H19N3O4S/c1-9-13-11(7-14(9)2)20(18,19)15(8-12(16)17)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNVADRKWNYOKEHP-UHFFFAOYSA-N
XLogP0.75
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid (CID 62061909) is 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid is Cc1nc(S(=O)(=O)N(CC(=O)O)C2CCCC2)cn1C.
What is the InChIKey of 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is NVADRKWNYOKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-13-11(7-14(9)2)20(18,19)15(8-12(16)17)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid?
2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 62061909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).