2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid

C11H17N3O6S — CID 119346707

IUPAC2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
SMILESCOCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H17N3O6S/c1-14(7-10(15)16)11(17)9-5-8(6-12-9)21(18,19)13-3-4-20-2/h5-6,12-13H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyYNWHKRWGLUEWMM-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.90
Rot. Bonds8

About 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid

2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid (PubChem CID 119346707) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
PubChem CID119346707
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
SMILESCOCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C11H17N3O6S/c1-14(7-10(15)16)11(17)9-5-8(6-12-9)21(18,19)13-3-4-20-2/h5-6,12-13H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyYNWHKRWGLUEWMM-UHFFFAOYSA-N
XLogP-0.90
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]propanoic acid
CID 119942974
4-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 119357757
2-[[2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetyl]-methylamino]acetic acid
CID 119346495
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]-2-phenylacetic acid
CID 119372735
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 120890345
(3aS,6aR)-2-[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683882
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900
2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
CID 119195487
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid (CID 119346707) is 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid is COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid?
The InChIKey is YNWHKRWGLUEWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-14(7-10(15)16)11(17)9-5-8(6-12-9)21(18,19)13-3-4-20-2/h5-6,12-13H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid?
2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid has a molecular weight of 319.34 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119346707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).