2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid

C10H16N4O5S — CID 119346265

IUPAC2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-7(10(17)13(2)6-9(15)16)12-20(18,19)8-4-11-14(3)5-8/h4-5,7,12H,6H2,1-3H3,(H,15,16)
InChIKeyNGAGWQKWLVEVPX-UHFFFAOYSA-N
MW304.33 g/mol
LogP-1.37
Rot. Bonds6

About 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid

2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid (PubChem CID 119346265) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
PubChem CID119346265
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-7(10(17)13(2)6-9(15)16)12-20(18,19)8-4-11-14(3)5-8/h4-5,7,12H,6H2,1-3H3,(H,15,16)
InChIKeyNGAGWQKWLVEVPX-UHFFFAOYSA-N
XLogP-1.37
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119660888
2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 122067240
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
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119643452
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 103861135

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid (CID 119346265) is 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid?
The InChIKey is NGAGWQKWLVEVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-7(10(17)13(2)6-9(15)16)12-20(18,19)8-4-11-14(3)5-8/h4-5,7,12H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid?
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid has a molecular weight of 304.33 g/mol, XLogP of -1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid is sourced from PubChem (CID 119346265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).