2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid

C11H17N3O4S — CID 79845600

IUPAC2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCCc1ncc(S(=O)(=O)NC2(CC(=O)O)CCC2)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-2-8-12-7-9(13-8)19(17,18)14-11(4-3-5-11)6-10(15)16/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyYTDRXXDEQHOUKK-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.65
Rot. Bonds6

About 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79845600) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79845600
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCCc1ncc(S(=O)(=O)NC2(CC(=O)O)CCC2)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-2-8-12-7-9(13-8)19(17,18)14-11(4-3-5-11)6-10(15)16/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyYTDRXXDEQHOUKK-UHFFFAOYSA-N
XLogP0.65
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid
CID 115291980
N-[4-(bromomethyl)oxan-4-yl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 114170642
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
CID 79845001
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
CID 115673541
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
CID 104595659
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide
CID 112673463
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid (CID 79845600) is 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid is CCc1ncc(S(=O)(=O)NC2(CC(=O)O)CCC2)[nH]1.
What is the InChIKey of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is YTDRXXDEQHOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-8-12-7-9(13-8)19(17,18)14-11(4-3-5-11)6-10(15)16/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).