3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

C12H19N3O5S — CID 62822599

IUPAC3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)CC(=O)O
InChIInChI=1S/C12H19N3O5S/c1-4-15(8(2)5-11(16)17)12(18)10-6-9(7-14(10)3)21(13,19)20/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,13,19,20)
InChIKeyVZYMOZTWCSBNNZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.00
Rot. Bonds6

About 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 62822599) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID62822599
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)CC(=O)O
InChIInChI=1S/C12H19N3O5S/c1-4-15(8(2)5-11(16)17)12(18)10-6-9(7-14(10)3)21(13,19)20/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,13,19,20)
InChIKeyVZYMOZTWCSBNNZ-UHFFFAOYSA-N
XLogP-0.00
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]butanoic acid
CID 55123329
2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)-prop-2-enylamino]acetic acid
CID 79263055
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (CID 62822599) is 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is VZYMOZTWCSBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-4-15(8(2)5-11(16)17)12(18)10-6-9(7-14(10)3)21(13,19)20/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,13,19,20).
What are the key properties of 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 317.37 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62822599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).