2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

C10H16N4O5S — CID 43387800

IUPAC2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-6-10(7(2)14(3)13-6)20(18,19)12-4-8(15)11-5-9(16)17/h12H,4-5H2,1-3H3,(H,11,15)(H,16,17)
InChIKeyKVSJQQZJRWGRPL-UHFFFAOYSA-N
MW304.33 g/mol
LogP-1.48
Rot. Bonds6

About 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 43387800) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID43387800
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-6-10(7(2)14(3)13-6)20(18,19)12-4-8(15)11-5-9(16)17/h12H,4-5H2,1-3H3,(H,11,15)(H,16,17)
InChIKeyKVSJQQZJRWGRPL-UHFFFAOYSA-N
XLogP-1.48
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[(2R)-2-hydroxy-2-phenylpropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97065266
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380496
2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 47270153
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetic acid
CID 43354360

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (CID 43387800) is 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is Cc1nn(C)c(C)c1S(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is KVSJQQZJRWGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-6-10(7(2)14(3)13-6)20(18,19)12-4-8(15)11-5-9(16)17/h12H,4-5H2,1-3H3,(H,11,15)(H,16,17).
What are the key properties of 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 304.33 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).