2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid

C14H18N4O4S — CID 136541721

IUPAC2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid
SMILESCc1cnn(C)c1S(=O)(=O)NCC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C14H18N4O4S/c1-10-8-16-18(2)13(10)23(21,22)17-9-11(14(19)20)7-12-5-3-4-6-15-12/h3-6,8,11,17H,7,9H2,1-2H3,(H,19,20)
InChIKeyZGNGVYZDZVZBCJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.35
Rot. Bonds7

About 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid

2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid (PubChem CID 136541721) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid
PubChem CID136541721
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid
SMILESCc1cnn(C)c1S(=O)(=O)NCC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C14H18N4O4S/c1-10-8-16-18(2)13(10)23(21,22)17-9-11(14(19)20)7-12-5-3-4-6-15-12/h3-6,8,11,17H,7,9H2,1-2H3,(H,19,20)
InChIKeyZGNGVYZDZVZBCJ-UHFFFAOYSA-N
XLogP0.35
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
N-(2-phenyl-3-pyridin-2-ylpropyl)benzenesulfonamide
CID 110361170
N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
CID 154869040
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide
CID 138997207
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 120968707
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid (CID 136541721) is 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid is Cc1cnn(C)c1S(=O)(=O)NCC(Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid?
The InChIKey is ZGNGVYZDZVZBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-10-8-16-18(2)13(10)23(21,22)17-9-11(14(19)20)7-12-5-3-4-6-15-12/h3-6,8,11,17H,7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid?
2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid has a molecular weight of 338.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 136541721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).