2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid

C7H11N3O4S — CID 165480243

IUPAC2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
SMILESCS(=O)(=O)c1cnn(CC(N)C(=O)O)c1
InChIInChI=1S/C7H11N3O4S/c1-15(13,14)5-2-9-10(3-5)4-6(8)7(11)12/h2-3,6H,4,8H2,1H3,(H,11,12)
InChIKeyFYVLPUDKBFXBTK-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.30
Rot. Bonds4

About 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid

2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid (PubChem CID 165480243) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
PubChem CID165480243
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
SMILESCS(=O)(=O)c1cnn(CC(N)C(=O)O)c1
InChIInChI=1S/C7H11N3O4S/c1-15(13,14)5-2-9-10(3-5)4-6(8)7(11)12/h2-3,6H,4,8H2,1H3,(H,11,12)
InChIKeyFYVLPUDKBFXBTK-UHFFFAOYSA-N
XLogP-1.30
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
methyl (E)-4-(4-methylsulfonylpyrazol-1-yl)but-2-enoate
CID 165472264
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid (CID 165480243) is 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid is CS(=O)(=O)c1cnn(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
The InChIKey is FYVLPUDKBFXBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-15(13,14)5-2-9-10(3-5)4-6(8)7(11)12/h2-3,6H,4,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid?
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid has a molecular weight of 233.25 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 165480243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).