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

C7H12N2O4S — CID 43082972

IUPAC2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCNC(=O)NC(=O)C(C)SCC(=O)O
InChIInChI=1S/C7H12N2O4S/c1-4(14-3-5(10)11)6(12)9-7(13)8-2/h4H,3H2,1-2H3,(H,10,11)(H2,8,9,12,13)
InChIKeySFCSSRZHJAQYBA-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.35
Rot. Bonds4

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

2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (PubChem CID 43082972) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
PubChem CID43082972
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCNC(=O)NC(=O)C(C)SCC(=O)O
InChIInChI=1S/C7H12N2O4S/c1-4(14-3-5(10)11)6(12)9-7(13)8-2/h4H,3H2,1-2H3,(H,10,11)(H2,8,9,12,13)
InChIKeySFCSSRZHJAQYBA-UHFFFAOYSA-N
XLogP-0.35
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (CID 43082972) is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is CNC(=O)NC(=O)C(C)SCC(=O)O.
What is the InChIKey of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The InChIKey is SFCSSRZHJAQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-4(14-3-5(10)11)6(12)9-7(13)8-2/h4H,3H2,1-2H3,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid has a molecular weight of 220.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).