2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

C9H15N3O4S — CID 104709586

IUPAC2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-7(9(13)14)6-11(2)17(15,16)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyXTMQUWKTVYCOIA-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.24
Rot. Bonds5

About 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 104709586) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID104709586
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-7(9(13)14)6-11(2)17(15,16)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyXTMQUWKTVYCOIA-UHFFFAOYSA-N
XLogP-0.24
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-(2-bromo-3-methoxypropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710609
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
CID 120710548
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-[(2-methylpyrazol-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104709691
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 104709586) is 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is CC(CN(C)S(=O)(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is XTMQUWKTVYCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-7(9(13)14)6-11(2)17(15,16)8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 104709586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).