4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid

C10H17N3O4S — CID 81066185

IUPAC4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCCn1cnc(S(=O)(=O)NCC(C)CC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-3-13-6-9(11-7-13)18(16,17)12-5-8(2)4-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyJATPUEIKLGFVFT-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.29
Rot. Bonds7

About 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid

4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 81066185) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID81066185
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCCn1cnc(S(=O)(=O)NCC(C)CC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-3-13-6-9(11-7-13)18(16,17)12-5-8(2)4-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyJATPUEIKLGFVFT-UHFFFAOYSA-N
XLogP0.29
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274
1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
CID 79373825
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
CID 114294574
(2S)-2-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylpentanoic acid
CID 79373361
1-ethyl-N-phenacylimidazole-4-sulfonamide
CID 79373290
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79807174
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid (CID 81066185) is 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid is CCn1cnc(S(=O)(=O)NCC(C)CC(=O)O)c1.
What is the InChIKey of 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is JATPUEIKLGFVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-13-6-9(11-7-13)18(16,17)12-5-8(2)4-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81066185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).