2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid

C7H15N3O6S — CID 79464472

IUPAC2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid
SMILESNS(=O)(=O)CCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C7H15N3O6S/c8-17(14,15)4-2-10-7(13)9-1-3-16-5-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13)
InChIKeyIFTPOJJWEMEITK-UHFFFAOYSA-N
MW269.28 g/mol
LogP-2.32
Rot. Bonds8

About 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid

2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79464472) has the molecular formula C7H15N3O6S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid
PubChem CID79464472
Molecular FormulaC7H15N3O6S
Molecular Weight269.28 g/mol
Exact Mass269.07
IUPAC Name2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid
SMILESNS(=O)(=O)CCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C7H15N3O6S/c8-17(14,15)4-2-10-7(13)9-1-3-16-5-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13)
InChIKeyIFTPOJJWEMEITK-UHFFFAOYSA-N
XLogP-2.32
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea
CID 142391829
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
CID 79463856
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid (CID 79464472) is 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid is NS(=O)(=O)CCNC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is IFTPOJJWEMEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O6S/c8-17(14,15)4-2-10-7(13)9-1-3-16-5-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13).
What are the key properties of 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid?
2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 269.28 g/mol, XLogP of -2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfamoylethylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79464472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).