2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid

C9H14N4O5S — CID 119348503

IUPAC2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H14N4O5S/c1-6(9(15)16)12-8(14)4-11-19(17,18)7-3-10-13(2)5-7/h3,5-6,11H,4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMAMUPZJADYCGLL-UHFFFAOYSA-N
MW290.30 g/mol
LogP-1.71
Rot. Bonds6

About 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid

2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid (PubChem CID 119348503) has the molecular formula C9H14N4O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
PubChem CID119348503
Molecular FormulaC9H14N4O5S
Molecular Weight290.30 g/mol
Exact Mass290.07
IUPAC Name2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H14N4O5S/c1-6(9(15)16)12-8(14)4-11-19(17,18)7-3-10-13(2)5-7/h3,5-6,11H,4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMAMUPZJADYCGLL-UHFFFAOYSA-N
XLogP-1.71
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 120830262
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119525994
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid (CID 119348503) is 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid is CC(NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid?
The InChIKey is MAMUPZJADYCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S/c1-6(9(15)16)12-8(14)4-11-19(17,18)7-3-10-13(2)5-7/h3,5-6,11H,4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid?
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid has a molecular weight of 290.30 g/mol, XLogP of -1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid is sourced from PubChem (CID 119348503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).