2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid

C11H18N4O5S — CID 119171432

IUPAC2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O5S/c1-6-10(8(3)15(4)13-6)21(19,20)14-7(2)11(18)12-5-9(16)17/h7,14H,5H2,1-4H3,(H,12,18)(H,16,17)
InChIKeyGMPSYKKZMFMABT-UHFFFAOYSA-N
MW318.36 g/mol
LogP-1.10
Rot. Bonds6

About 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid

2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid (PubChem CID 119171432) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
PubChem CID119171432
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O5S/c1-6-10(8(3)15(4)13-6)21(19,20)14-7(2)11(18)12-5-9(16)17/h7,14H,5H2,1-4H3,(H,12,18)(H,16,17)
InChIKeyGMPSYKKZMFMABT-UHFFFAOYSA-N
XLogP-1.10
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid (CID 119171432) is 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid?
The InChIKey is GMPSYKKZMFMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-6-10(8(3)15(4)13-6)21(19,20)14-7(2)11(18)12-5-9(16)17/h7,14H,5H2,1-4H3,(H,12,18)(H,16,17).
What are the key properties of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid?
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid has a molecular weight of 318.36 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid is sourced from PubChem (CID 119171432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).