2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid

C10H19NO6S — CID 63064138

IUPAC2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO6S/c1-4-17-10(14)7-18(15,16)11(5-8(2)3)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyODCOQEBQOCTHFL-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.08
Rot. Bonds8

About 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid

2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63064138) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
PubChem CID63064138
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO6S/c1-4-17-10(14)7-18(15,16)11(5-8(2)3)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyODCOQEBQOCTHFL-UHFFFAOYSA-N
XLogP-0.08
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[2-methylpropyl(prop-2-enylsulfonyl)amino]acetic acid
CID 79673279
2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456675
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
ethyl 2-[methoxy(methyl)sulfamoyl]acetate
CID 64591182
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid (CID 63064138) is 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid is CCOC(=O)CS(=O)(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is ODCOQEBQOCTHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-17-10(14)7-18(15,16)11(5-8(2)3)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 281.33 g/mol, XLogP of -0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).