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

C8H14N2O4S — CID 43082974

IUPAC2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCCNC(=O)NC(=O)C(C)SCC(=O)O
InChIInChI=1S/C8H14N2O4S/c1-3-9-8(14)10-7(13)5(2)15-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14)
InChIKeyJUVYJGBINQBBMP-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.04
Rot. Bonds5

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

2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (PubChem CID 43082974) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
PubChem CID43082974
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCCNC(=O)NC(=O)C(C)SCC(=O)O
InChIInChI=1S/C8H14N2O4S/c1-3-9-8(14)10-7(13)5(2)15-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14)
InChIKeyJUVYJGBINQBBMP-UHFFFAOYSA-N
XLogP0.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (CID 43082974) is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is CCNC(=O)NC(=O)C(C)SCC(=O)O.
What is the InChIKey of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The InChIKey is JUVYJGBINQBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-3-9-8(14)10-7(13)5(2)15-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid has a molecular weight of 234.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43082974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).