tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate

C11H19N3O4S — CID 81005814

IUPACtert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O4S/c1-7-9(6-12-13-7)19(16,17)14-8(2)10(15)18-11(3,4)5/h6,8,14H,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyGCVKQOHPXGJYML-MRVPVSSYSA-N
MW289.36 g/mol
LogP0.73
Rot. Bonds4

About tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate

tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate (PubChem CID 81005814) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
PubChem CID81005814
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Nametert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O4S/c1-7-9(6-12-13-7)19(16,17)14-8(2)10(15)18-11(3,4)5/h6,8,14H,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyGCVKQOHPXGJYML-MRVPVSSYSA-N
XLogP0.73
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate (CID 81005814) is tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate is Cc1[nH]ncc1S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate?
The InChIKey is GCVKQOHPXGJYML-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-7-9(6-12-13-7)19(16,17)14-8(2)10(15)18-11(3,4)5/h6,8,14H,1-5H3,(H,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate?
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate has a molecular weight of 289.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 81005814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).