2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid

C10H15N3O6S — CID 81078661

IUPAC2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-13-4-6(3-8(13)9(11)14)20(17,18)12-7(5-19-2)10(15)16/h3-4,7,12H,5H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyFFOBDEXKPLJEEA-UHFFFAOYSA-N
MW305.31 g/mol
LogP-1.50
Rot. Bonds7

About 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid

2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid (PubChem CID 81078661) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid
PubChem CID81078661
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-13-4-6(3-8(13)9(11)14)20(17,18)12-7(5-19-2)10(15)16/h3-4,7,12H,5H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyFFOBDEXKPLJEEA-UHFFFAOYSA-N
XLogP-1.50
TPSA140.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43245083
(2R)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010821
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
5-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682888
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 166224314
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
ethyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 97306609
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid (CID 81078661) is 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid is COCC(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O.
What is the InChIKey of 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid?
The InChIKey is FFOBDEXKPLJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-13-4-6(3-8(13)9(11)14)20(17,18)12-7(5-19-2)10(15)16/h3-4,7,12H,5H2,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid?
2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid has a molecular weight of 305.31 g/mol, XLogP of -1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).