2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid

C7H14N2O5S — CID 103101618

IUPAC2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-3-9(4-6(8)10)15(13,14)5(2)7(11)12/h5H,3-4H2,1-2H3,(H2,8,10)(H,11,12)
InChIKeyYJDGFVCRWTUWOG-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.40
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid

2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid (PubChem CID 103101618) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
PubChem CID103101618
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-3-9(4-6(8)10)15(13,14)5(2)7(11)12/h5H,3-4H2,1-2H3,(H2,8,10)(H,11,12)
InChIKeyYJDGFVCRWTUWOG-UHFFFAOYSA-N
XLogP-1.40
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
CID 79390632
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
2-[bis[3-(dimethylamino)propyl]sulfamoyl]propanoic acid
CID 61457737
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
CID 106631065
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
2-[cyanomethylsulfonyl(ethyl)amino]acetamide
CID 103102496
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid (CID 103101618) is 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid is CCN(CC(N)=O)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
The InChIKey is YJDGFVCRWTUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-3-9(4-6(8)10)15(13,14)5(2)7(11)12/h5H,3-4H2,1-2H3,(H2,8,10)(H,11,12).
What are the key properties of 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid?
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of -1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 103101618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).