2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid

C5H10N2O5S — CID 43374048

IUPAC2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid
SMILESCN(CC(N)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-7(2-4(6)8)13(11,12)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyBSJKFMVCBACPMA-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.18
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid

2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid (PubChem CID 43374048) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid
PubChem CID43374048
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid
SMILESCN(CC(N)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-7(2-4(6)8)13(11,12)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyBSJKFMVCBACPMA-UHFFFAOYSA-N
XLogP-2.18
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tauryl-sarcosine
CID 87843017
2-[2-[Disulfanyl(methyl)amino]ethylsulfamoyl]acetic acid
CID 174164605
2-[(2-Amino-2-oxoethyl)-(2-sulfoethyl)amino]acetic acid
CID 175443682
2-[2-(Dimethylamino)ethylsulfamoyl]acetic acid
CID 28773458
2-[(2-Amino-2-oxoethyl)sulfamoyl]acetic acid
CID 28773499
2-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310523
3-[[2-(Methylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310532
2-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43310940
3-[[2-(Dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
4-[(2-Amino-2-oxoethyl)-methylsulfamoyl]butanoic acid
CID 43374073
3-[(2-Amino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 43374074
2-[2-Aminoethylsulfonyl(methyl)amino]acetamide
CID 43374209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid (CID 43374048) is 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid is CN(CC(N)=O)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid?
The InChIKey is BSJKFMVCBACPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-7(2-4(6)8)13(11,12)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid?
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid has a molecular weight of 210.21 g/mol, XLogP of -2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]acetic acid is sourced from PubChem (CID 43374048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).