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

C7H13NO5S — CID 43117001

IUPAC2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCCNC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H13NO5S/c1-3-8-7(11)5(2)14(12,13)4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyOBWRDZDXGWVOIH-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.99
Rot. Bonds5

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

2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid (PubChem CID 43117001) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid
PubChem CID43117001
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCCNC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H13NO5S/c1-3-8-7(11)5(2)14(12,13)4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyOBWRDZDXGWVOIH-UHFFFAOYSA-N
XLogP-0.99
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid (CID 43117001) is 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The canonical SMILES for 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid is CCNC(=O)C(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The InChIKey is OBWRDZDXGWVOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-3-8-7(11)5(2)14(12,13)4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10).
What are the key properties of 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid has a molecular weight of 223.25 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylacetic acid is sourced from PubChem (CID 43117001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).