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

C5H8N2O4S — CID 16784183

IUPAC2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid
SMILESNC(=O)NC(=O)CSCC(=O)O
InChIInChI=1S/C5H8N2O4S/c6-5(11)7-3(8)1-12-2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11)
InChIKeyLSIVMWABNMKEEP-UHFFFAOYSA-N
MW192.20 g/mol
LogP-1.00
Rot. Bonds4

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

2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 16784183) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID16784183
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid
SMILESNC(=O)NC(=O)CSCC(=O)O
InChIInChI=1S/C5H8N2O4S/c6-5(11)7-3(8)1-12-2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11)
InChIKeyLSIVMWABNMKEEP-UHFFFAOYSA-N
XLogP-1.00
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid (CID 16784183) is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid is NC(=O)NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is LSIVMWABNMKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S/c6-5(11)7-3(8)1-12-2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 192.20 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 16784183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).