2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

C9H16N2O6S — CID 43117066

IUPAC2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-4-10-9(15)11-7(12)5(2)18(16,17)6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)
InChIKeyGSQZGTOJOBEPDP-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.89
Rot. Bonds5

About 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (PubChem CID 43117066) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
PubChem CID43117066
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-4-10-9(15)11-7(12)5(2)18(16,17)6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)
InChIKeyGSQZGTOJOBEPDP-UHFFFAOYSA-N
XLogP-0.89
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (CID 43117066) is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is CCNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The InChIKey is GSQZGTOJOBEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-4-10-9(15)11-7(12)5(2)18(16,17)6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid has a molecular weight of 280.30 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is sourced from PubChem (CID 43117066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).