2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

C8H15N3O5S — CID 54978624

IUPAC2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C8H15N3O5S/c9-17(15,16)4-3-10-8(14)11(5-7(12)13)6-1-2-6/h6H,1-5H2,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyITLDOKOUQVMFJF-UHFFFAOYSA-N
MW265.29 g/mol
LogP-1.47
Rot. Bonds6

About 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (PubChem CID 54978624) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
PubChem CID54978624
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C8H15N3O5S/c9-17(15,16)4-3-10-8(14)11(5-7(12)13)6-1-2-6/h6H,1-5H2,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyITLDOKOUQVMFJF-UHFFFAOYSA-N
XLogP-1.47
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (CID 54978624) is 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is NS(=O)(=O)CCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The InChIKey is ITLDOKOUQVMFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5S/c9-17(15,16)4-3-10-8(14)11(5-7(12)13)6-1-2-6/h6H,1-5H2,(H,10,14)(H,12,13)(H2,9,15,16).
What are the key properties of 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid has a molecular weight of 265.29 g/mol, XLogP of -1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 54978624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).