5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid

C10H16N4O5S — CID 62062966

IUPAC5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1nc(S(=O)(=O)NC(CCC(N)=O)C(=O)O)cn1C
InChIInChI=1S/C10H16N4O5S/c1-6-12-9(5-14(6)2)20(18,19)13-7(10(16)17)3-4-8(11)15/h5,7,13H,3-4H2,1-2H3,(H2,11,15)(H,16,17)
InChIKeyZAXWQNPROWMJAJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP-1.27
Rot. Bonds7

About 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid

5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 62062966) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID62062966
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1nc(S(=O)(=O)NC(CCC(N)=O)C(=O)O)cn1C
InChIInChI=1S/C10H16N4O5S/c1-6-12-9(5-14(6)2)20(18,19)13-7(10(16)17)3-4-8(11)15/h5,7,13H,3-4H2,1-2H3,(H2,11,15)(H,16,17)
InChIKeyZAXWQNPROWMJAJ-UHFFFAOYSA-N
XLogP-1.27
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906609
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 62061405
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79011211
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-oxo-4-thiophen-2-ylbutanoic acid
CID 136533079
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
(2S)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 103862437
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 114294711
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid (CID 62062966) is 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid is Cc1nc(S(=O)(=O)NC(CCC(N)=O)C(=O)O)cn1C.
What is the InChIKey of 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is ZAXWQNPROWMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-6-12-9(5-14(6)2)20(18,19)13-7(10(16)17)3-4-8(11)15/h5,7,13H,3-4H2,1-2H3,(H2,11,15)(H,16,17).
What are the key properties of 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 304.33 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 62062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).