2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid

C11H22N2O5S — CID 119205182

IUPAC2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CS(=O)(=O)N(CC)CC
InChIInChI=1S/C11H22N2O5S/c1-4-7-12(8-11(15)16)10(14)9-19(17,18)13(5-2)6-3/h4-9H2,1-3H3,(H,15,16)
InChIKeyWBCCSLYIDWODDZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.02
Rot. Bonds9

About 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid

2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid (PubChem CID 119205182) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
PubChem CID119205182
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CS(=O)(=O)N(CC)CC
InChIInChI=1S/C11H22N2O5S/c1-4-7-12(8-11(15)16)10(14)9-19(17,18)13(5-2)6-3/h4-9H2,1-3H3,(H,15,16)
InChIKeyWBCCSLYIDWODDZ-UHFFFAOYSA-N
XLogP-0.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[3-ethylsulfanylpropanoyl(propyl)amino]acetic acid
CID 115730606
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid
CID 120519896
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid (CID 119205182) is 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CS(=O)(=O)N(CC)CC.
What is the InChIKey of 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid?
The InChIKey is WBCCSLYIDWODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-7-12(8-11(15)16)10(14)9-19(17,18)13(5-2)6-3/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid?
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid has a molecular weight of 294.37 g/mol, XLogP of -0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 119205182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).