2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid

C13H21N3O4S — CID 79845001

IUPAC2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCCCn1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-7-16-9-11(14-10(16)2)21(19,20)15-13(5-4-6-13)8-12(17)18/h9,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyQQMXMSANGAOCMD-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.28
Rot. Bonds7

About 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79845001) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79845001
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCCCn1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-7-16-9-11(14-10(16)2)21(19,20)15-13(5-4-6-13)8-12(17)18/h9,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyQQMXMSANGAOCMD-UHFFFAOYSA-N
XLogP1.28
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671759
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
CID 64702323
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032749
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 64913069

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid (CID 79845001) is 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid is CCCn1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)nc1C.
What is the InChIKey of 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is QQMXMSANGAOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-7-16-9-11(14-10(16)2)21(19,20)15-13(5-4-6-13)8-12(17)18/h9,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 315.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).