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

C6H10N2O6S — CID 43117008

IUPAC2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCC(C(=O)NC(N)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H10N2O6S/c1-3(5(11)8-6(7)12)15(13,14)2-4(9)10/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12)
InChIKeyVZLGAGNHCDRUGQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.93
Rot. Bonds4

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

2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid (PubChem CID 43117008) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
PubChem CID43117008
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCC(C(=O)NC(N)=O)S(=O)(=O)CC(=O)O
InChIInChI=1S/C6H10N2O6S/c1-3(5(11)8-6(7)12)15(13,14)2-4(9)10/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12)
InChIKeyVZLGAGNHCDRUGQ-UHFFFAOYSA-N
XLogP-1.93
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(Carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 24690586
2-[2-(Carbamoylamino)-2-oxoethyl]sulfonylacetic acid
CID 24696538
2-{[2-(Carbamoylamino)-2-oxoethyl]sulfanyl}propanoic acid
CID 24696712
3-[2-(Carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 24711773
3-[1-(Carbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082841
2-[1-(Carbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082894
2-[1-(Carbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082973
2-[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
CID 43117007
2-[1-(Methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
CID 43117010
2-[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117066
2-[1-(Carbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117067
2-[1-(Methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The IUPAC name of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid (CID 43117008) is 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The canonical SMILES for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid is CC(C(=O)NC(N)=O)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The InChIKey is VZLGAGNHCDRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6S/c1-3(5(11)8-6(7)12)15(13,14)2-4(9)10/h3H,2H2,1H3,(H,9,10)(H3,7,8,11,12).
What are the key properties of 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid has a molecular weight of 238.22 g/mol, XLogP of -1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid is sourced from PubChem (CID 43117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).