(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid

C10H17N3O4S — CID 79011211

IUPAC(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCc1nc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cn1C
InChIInChI=1S/C10H17N3O4S/c1-6(2)9(10(14)15)12-18(16,17)8-5-13(4)7(3)11-8/h5-6,9,12H,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyONPDRDPYSOIYIR-SECBINFHSA-N
MW275.33 g/mol
LogP0.12
Rot. Bonds5

About (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 79011211) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID79011211
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCc1nc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cn1C
InChIInChI=1S/C10H17N3O4S/c1-6(2)9(10(14)15)12-18(16,17)8-5-13(4)7(3)11-8/h5-6,9,12H,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyONPDRDPYSOIYIR-SECBINFHSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
(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
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
CID 62062966
N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 114294711
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906609
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 55030383
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-oxo-4-thiophen-2-ylbutanoic acid
CID 136533079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid (CID 79011211) is (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid is Cc1nc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cn1C.
What is the InChIKey of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is ONPDRDPYSOIYIR-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-6(2)9(10(14)15)12-18(16,17)8-5-13(4)7(3)11-8/h5-6,9,12H,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79011211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).