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

C11H19N3O4S — CID 78984885

IUPAC(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1nc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cn1C
InChIInChI=1S/C11H19N3O4S/c1-7(2)5-9(11(15)16)13-19(17,18)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyGHSXHCFIZPKIOA-SECBINFHSA-N
MW289.36 g/mol
LogP0.51
Rot. Bonds6

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

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 78984885) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID78984885
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1nc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cn1C
InChIInChI=1S/C11H19N3O4S/c1-7(2)5-9(11(15)16)13-19(17,18)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyGHSXHCFIZPKIOA-SECBINFHSA-N
XLogP0.51
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid (CID 78984885) is (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid is Cc1nc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cn1C.
What is the InChIKey of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is GHSXHCFIZPKIOA-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-7(2)5-9(11(15)16)13-19(17,18)10-6-14(4)8(3)12-10/h6-7,9,13H,5H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 289.36 g/mol, XLogP of 0.51, 6 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]-4-methylpentanoic acid is sourced from PubChem (CID 78984885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).