2-[carboxymethyl(ethylsulfonyl)amino]acetic acid

C6H11NO6S — CID 23524492

IUPAC2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO6S/c1-2-14(12,13)7(3-5(8)9)4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyTWIFJNYVTPYFQV-UHFFFAOYSA-N
MW225.22 g/mol
LogP-1.19
Rot. Bonds6

About 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid

2-[carboxymethyl(ethylsulfonyl)amino]acetic acid (PubChem CID 23524492) has the molecular formula C6H11NO6S and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
PubChem CID23524492
Molecular FormulaC6H11NO6S
Molecular Weight225.22 g/mol
Exact Mass225.03
IUPAC Name2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO6S/c1-2-14(12,13)7(3-5(8)9)4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyTWIFJNYVTPYFQV-UHFFFAOYSA-N
XLogP-1.19
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
CID 107435665
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[octyl(sulfo)amino]acetic acid
CID 88730489
2-[butylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79274979
2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid
CID 122071284
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
CID 119205182
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid (CID 23524492) is 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid is CCS(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid?
The InChIKey is TWIFJNYVTPYFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6S/c1-2-14(12,13)7(3-5(8)9)4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid?
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid has a molecular weight of 225.22 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(ethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 23524492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).