(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid

C13H16N4O5S — CID 136580961

IUPAC(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1c(S(=O)(=O)N[C@H](CCO)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C13H16N4O5S/c1-9-11(8-15-17(9)12-4-2-3-6-14-12)23(21,22)16-10(5-7-18)13(19)20/h2-4,6,8,10,16,18H,5,7H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFXEDMNNCISLZHN-SNVBAGLBSA-N
MW340.36 g/mol
LogP-0.31
Rot. Bonds7

About (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid

(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 136580961) has the molecular formula C13H16N4O5S and a molecular weight of 340.36 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID136580961
Molecular FormulaC13H16N4O5S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1c(S(=O)(=O)N[C@H](CCO)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C13H16N4O5S/c1-9-11(8-15-17(9)12-4-2-3-6-14-12)23(21,22)16-10(5-7-18)13(19)20/h2-4,6,8,10,16,18H,5,7H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFXEDMNNCISLZHN-SNVBAGLBSA-N
XLogP-0.31
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid (CID 136580961) is (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid is Cc1c(S(=O)(=O)N[C@H](CCO)C(=O)O)cnn1-c1ccccn1.
What is the InChIKey of (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is FXEDMNNCISLZHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O5S/c1-9-11(8-15-17(9)12-4-2-3-6-14-12)23(21,22)16-10(5-7-18)13(19)20/h2-4,6,8,10,16,18H,5,7H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid?
(2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 340.36 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 136580961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).