2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid

C7H14N2O6S — CID 114806125

IUPAC2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
SMILESCC(C)NS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H14N2O6S/c1-5(2)8-16(14,15)9(3-6(10)11)4-7(12)13/h5,8H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZCQXKGXYXMXCSM-UHFFFAOYSA-N
MW254.26 g/mol
LogP-1.30
Rot. Bonds7

About 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid

2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid (PubChem CID 114806125) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
PubChem CID114806125
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
SMILESCC(C)NS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H14N2O6S/c1-5(2)8-16(14,15)9(3-6(10)11)4-7(12)13/h5,8H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZCQXKGXYXMXCSM-UHFFFAOYSA-N
XLogP-1.30
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
CID 114805657
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
CID 115969655
2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
CID 114805560

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid (CID 114806125) is 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid is CC(C)NS(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid?
The InChIKey is ZCQXKGXYXMXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-5(2)8-16(14,15)9(3-6(10)11)4-7(12)13/h5,8H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid?
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid has a molecular weight of 254.26 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).