2-(2-aminoethylsulfonyl)-2-methylpropanoic acid

C6H13NO4S — CID 82180040

IUPAC2-(2-aminoethylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)CCN
InChIInChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)4-3-7/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyDNELBFUOWXWSBC-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.78
Rot. Bonds4

About 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid

2-(2-aminoethylsulfonyl)-2-methylpropanoic acid (PubChem CID 82180040) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-2-methylpropanoic acid
PubChem CID82180040
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(2-aminoethylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)CCN
InChIInChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)4-3-7/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyDNELBFUOWXWSBC-UHFFFAOYSA-N
XLogP-0.78
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyethylsulfonyl)-2-methylpropanoic acid
CID 82180555
2-methyl-2-(3-methylbutylsulfonyl)propanoic acid
CID 59253211
2-methyl-2-(2-propylsulfonylethylsulfonyl)propanoic acid
CID 106725039
5-(2-carboxypropan-2-ylsulfonyl)pentanoic acid
CID 82182721
2-methyl-2-[2-(trifluoromethoxy)ethylsulfonyl]propanoic acid
CID 81229414
2-methyl-2-(3-phenoxypropylsulfonyl)propanoic acid
CID 81229811
2-methyl-2-prop-2-enylsulfonylpropanoic acid
CID 82180724
2-methyl-2-(2-pyrazol-1-ylethylsulfonyl)propanoic acid
CID 81229830
2-methyl-2-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfonyl]propanoic acid
CID 164946185
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
CID 106736073

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid (CID 82180040) is 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid?
The InChIKey is DNELBFUOWXWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)4-3-7/h3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid?
2-(2-aminoethylsulfonyl)-2-methylpropanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-2-methylpropanoic acid is sourced from PubChem (CID 82180040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).