2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid

C8H16N2O6S — CID 55245356

IUPAC2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
SMILESCC(C)N(C)S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)9(3)17(15,16)10(4-7(11)12)5-8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyTYIBBMDHPROHED-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.96
Rot. Bonds7

About 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid

2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid (PubChem CID 55245356) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
PubChem CID55245356
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
SMILESCC(C)N(C)S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)9(3)17(15,16)10(4-7(11)12)5-8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyTYIBBMDHPROHED-UHFFFAOYSA-N
XLogP-0.96
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[(2-amino-2-oxoethyl)-(dimethylsulfamoyl)amino]acetic acid
CID 107435768
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
CID 114806125
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]butan-1-amine
CID 86989260
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-[dimethylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258153
2-[amino(propan-2-yl)amino]acetic acid
CID 10887948
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid (CID 55245356) is 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid is CC(C)N(C)S(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid?
The InChIKey is TYIBBMDHPROHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-6(2)9(3)17(15,16)10(4-7(11)12)5-8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid?
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid is sourced from PubChem (CID 55245356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).