2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid

C8H16N2O5S — CID 107435665

IUPAC2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
SMILESCCCCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10(5-7(9)11)6-8(12)13/h2-6H2,1H3,(H2,9,11)(H,12,13)
InChIKeyHGNVYIOOOSSDCM-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.01
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid

2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid (PubChem CID 107435665) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
PubChem CID107435665
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
SMILESCCCCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10(5-7(9)11)6-8(12)13/h2-6H2,1H3,(H2,9,11)(H,12,13)
InChIKeyHGNVYIOOOSSDCM-UHFFFAOYSA-N
XLogP-1.01
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Amino-2-oxoethyl)-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 107435802
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904
2-[3-Aminopropylsulfonyl-[2-(oxomethylamino)ethyl]amino]acetic acid;fermium
CID 145667791
2-Acetamidoethyl-dimethyl-(3-sulfopropyl)azanium;carboxymethyl(trimethyl)azanium
CID 173428533
2-[(2-Amino-2-oxoethyl)-(2-sulfoethyl)amino]acetic acid
CID 175443682
2-[4,7-Bis(carboxymethyl)-10-[2-(methanesulfonamido)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 11250686
2-[2-(Propylsulfonylamino)propanoylamino]acetic acid
CID 43354548
2-[2-(Propylsulfonylamino)propanoylamino]propanoic acid
CID 43355418
2-[Methyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
CID 43356378
2-[(2-Amino-2-oxoethyl)-methylsulfamoyl]acetic acid
CID 43374048
3-[(2-Amino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 43374074
2-[[2-(Propylsulfonylamino)acetyl]amino]acetic acid
CID 43386643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid (CID 107435665) is 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid is CCCCS(=O)(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid?
The InChIKey is HGNVYIOOOSSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-2-3-4-16(14,15)10(5-7(9)11)6-8(12)13/h2-6H2,1H3,(H2,9,11)(H,12,13).
What are the key properties of 2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid?
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid has a molecular weight of 252.29 g/mol, XLogP of -1.01, 8 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)-butylsulfonylamino]acetic acid is sourced from PubChem (CID 107435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).