(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid

C7H11N3O5S — CID 104936012

IUPAC(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-4-6(3-8-10-4)16(14,15)9-2-5(11)7(12)13/h3,5,9,11H,2H2,1H3,(H,8,10)(H,12,13)/t5-/m0/s1
InChIKeyMVGZLMROVHTACO-YFKPBYRVSA-N
MW249.25 g/mol
LogP-1.56
Rot. Bonds5

About (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid

(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid (PubChem CID 104936012) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
PubChem CID104936012
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H11N3O5S/c1-4-6(3-8-10-4)16(14,15)9-2-5(11)7(12)13/h3,5,9,11H,2H2,1H3,(H,8,10)(H,12,13)/t5-/m0/s1
InChIKeyMVGZLMROVHTACO-YFKPBYRVSA-N
XLogP-1.56
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-3-pyridin-3-ylpropanoic acid
CID 146081413
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 104933894
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid (CID 104936012) is (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid is Cc1[nH]ncc1S(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid?
The InChIKey is MVGZLMROVHTACO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O5S/c1-4-6(3-8-10-4)16(14,15)9-2-5(11)7(12)13/h3,5,9,11H,2H2,1H3,(H,8,10)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid?
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid has a molecular weight of 249.25 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 104936012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).