2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid

C6H11NO5S — CID 43116999

IUPAC2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCNC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H11NO5S/c1-4(6(10)7-2)13(11,12)3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyZZWXNULWIQVZIK-UHFFFAOYSA-N
MW209.22 g/mol
LogP-1.38
Rot. Bonds4

About 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid

2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid (PubChem CID 43116999) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid
PubChem CID43116999
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCNC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H11NO5S/c1-4(6(10)7-2)13(11,12)3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyZZWXNULWIQVZIK-UHFFFAOYSA-N
XLogP-1.38
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The IUPAC name of 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid (CID 43116999) is 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The canonical SMILES for 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid is CNC(=O)C(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The InChIKey is ZZWXNULWIQVZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5S/c1-4(6(10)7-2)13(11,12)3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid has a molecular weight of 209.22 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)-1-oxopropan-2-yl]sulfonylacetic acid is sourced from PubChem (CID 43116999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).