2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid

C7H13NO4S — CID 122067747

IUPAC2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid
SMILESC=C(C)CS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C7H13NO4S/c1-6(2)5-13(11,12)8(3)4-7(9)10/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyDOYCNDYTOBOKKW-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.09
Rot. Bonds5

About 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid

2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid (PubChem CID 122067747) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid
PubChem CID122067747
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid
SMILESC=C(C)CS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C7H13NO4S/c1-6(2)5-13(11,12)8(3)4-7(9)10/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyDOYCNDYTOBOKKW-UHFFFAOYSA-N
XLogP-0.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43375017
2-[difluoromethylsulfonyl(methyl)amino]acetic acid
CID 28606630
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[(3-ethoxy-2-methylpropyl)sulfonyl-methylamino]acetic acid
CID 122067715
2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid
CID 63694307
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
5-(2-methylprop-2-enylsulfonyl)pentanoic acid
CID 82182707
N-methyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
CID 115886928
2-methylprop-2-ene-1-sulfonic acid;yttrium
CID 20670845
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid (CID 122067747) is 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid is C=C(C)CS(=O)(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid?
The InChIKey is DOYCNDYTOBOKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-6(2)5-13(11,12)8(3)4-7(9)10/h1,4-5H2,2-3H3,(H,9,10).
What are the key properties of 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid?
2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid has a molecular weight of 207.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylprop-2-enylsulfonyl)amino]acetic acid is sourced from PubChem (CID 122067747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).