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

C6H10N2O4S — CID 43082973

IUPAC2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCC(SCC(=O)O)C(=O)NC(N)=O
InChIInChI=1S/C6H10N2O4S/c1-3(13-2-4(9)10)5(11)8-6(7)12/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12)
InChIKeyQXXWRAUYTMMHJY-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.61
Rot. Bonds4

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

2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (PubChem CID 43082973) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
PubChem CID43082973
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCC(SCC(=O)O)C(=O)NC(N)=O
InChIInChI=1S/C6H10N2O4S/c1-3(13-2-4(9)10)5(11)8-6(7)12/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12)
InChIKeyQXXWRAUYTMMHJY-UHFFFAOYSA-N
XLogP-0.61
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid (CID 43082973) is 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is CC(SCC(=O)O)C(=O)NC(N)=O.
What is the InChIKey of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The InChIKey is QXXWRAUYTMMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-3(13-2-4(9)10)5(11)8-6(7)12/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12).
What are the key properties of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid has a molecular weight of 206.22 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43082973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).