2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid

C6H10N2O4S — CID 43091420

IUPAC2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
SMILESCNC(=O)NC(=O)CSCC(=O)O
InChIInChI=1S/C6H10N2O4S/c1-7-6(12)8-4(9)2-13-3-5(10)11/h2-3H2,1H3,(H,10,11)(H2,7,8,9,12)
InChIKeyATCHXUGLJBMXEP-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.74
Rot. Bonds4

About 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 43091420) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID43091420
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
SMILESCNC(=O)NC(=O)CSCC(=O)O
InChIInChI=1S/C6H10N2O4S/c1-7-6(12)8-4(9)2-13-3-5(10)11/h2-3H2,1H3,(H,10,11)(H2,7,8,9,12)
InChIKeyATCHXUGLJBMXEP-UHFFFAOYSA-N
XLogP-0.74
TPSA95.50 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 ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
CID 43237537
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
2-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569799
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
2-(2-methylprop-2-enylsulfanyl)acetic acid
CID 24710674
2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetic acid
CID 16795839
2-[4-(methylamino)-4-oxobutyl]sulfanylacetic acid
CID 63892860
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid
CID 104570033
2-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570038
3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid
CID 43466326
(2S)-2-amino-3-methyl-3-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 106443639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid (CID 43091420) is 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid is CNC(=O)NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ATCHXUGLJBMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-7-6(12)8-4(9)2-13-3-5(10)11/h2-3H2,1H3,(H,10,11)(H2,7,8,9,12).
What are the key properties of 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 206.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 43091420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).