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

C8H13N3O5S — CID 104933894

IUPAC(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5-7(4-9-10-5)17(15,16)11-6(2-3-12)8(13)14/h4,6,11-12H,2-3H2,1H3,(H,9,10)(H,13,14)/t6-/m1/s1
InChIKeyPYNMVLGQAZJODS-ZCFIWIBFSA-N
MW263.27 g/mol
LogP-1.17
Rot. Bonds6

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

(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 104933894) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID104933894
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5-7(4-9-10-5)17(15,16)11-6(2-3-12)8(13)14/h4,6,11-12H,2-3H2,1H3,(H,9,10)(H,13,14)/t6-/m1/s1
InChIKeyPYNMVLGQAZJODS-ZCFIWIBFSA-N
XLogP-1.17
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933846
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid (CID 104933894) is (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid is Cc1[nH]ncc1S(=O)(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is PYNMVLGQAZJODS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5-7(4-9-10-5)17(15,16)11-6(2-3-12)8(13)14/h4,6,11-12H,2-3H2,1H3,(H,9,10)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 263.27 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104933894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).