methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate

C8H14N4O4S — CID 54959522

IUPACmethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H14N4O4S/c1-5(8(13)16-3)11-17(14,15)6-4-12(2)10-7(6)9/h4-5,11H,1-3H3,(H2,9,10)
InChIKeyRQWGUZCKMULFPF-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.16
Rot. Bonds4

About methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate

methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate (PubChem CID 54959522) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate
PubChem CID54959522
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Namemethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H14N4O4S/c1-5(8(13)16-3)11-17(14,15)6-4-12(2)10-7(6)9/h4-5,11H,1-3H3,(H2,9,10)
InChIKeyRQWGUZCKMULFPF-UHFFFAOYSA-N
XLogP-1.16
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate (CID 54959522) is methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The InChIKey is RQWGUZCKMULFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-5(8(13)16-3)11-17(14,15)6-4-12(2)10-7(6)9/h4-5,11H,1-3H3,(H2,9,10).
What are the key properties of methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate?
methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate has a molecular weight of 262.29 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 54959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).