2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid

C11H15N3O5S — CID 11055723

IUPAC2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C11H15N3O5S/c12-20(18,19)9-3-1-8(2-4-9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)(H2,12,18,19)
InChIKeyHPQLKEDPRLBGLX-UHFFFAOYSA-N
MW301.32 g/mol
LogP-1.38
Rot. Bonds7

About 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid

2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid (PubChem CID 11055723) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid
PubChem CID11055723
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNCC(=O)O)cc1
InChIInChI=1S/C11H15N3O5S/c12-20(18,19)9-3-1-8(2-4-9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)(H2,12,18,19)
InChIKeyHPQLKEDPRLBGLX-UHFFFAOYSA-N
XLogP-1.38
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
2-[(4-Sulfamoylphenyl)formamido]acetic acid
CID 10467688
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 4121769
{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid
CID 11061197
((2-{Carboxymethyl-[2-(carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 11115351
N-(4-Sulfamoylbenzyl)Pivalamide
CID 4447263
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
[Carboxymethyl-(2-{carboxymethyl-[2-(carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-amino]-acetic acid
CID 11060882
Copper(2+) ion 2-[(carboxylatomethyl)({2-[(4-sulfamoylphenyl)formamido]ethyl})amino]acetate
CID 91895869
2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide
CID 795181
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid (CID 11055723) is 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid is NS(=O)(=O)c1ccc(CNC(=O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid?
The InChIKey is HPQLKEDPRLBGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c12-20(18,19)9-3-1-8(2-4-9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)(H2,12,18,19).
What are the key properties of 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid?
2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid has a molecular weight of 301.32 g/mol, XLogP of -1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 11055723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).