[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate

C5H10N2O4S — CID 90850764

IUPAC[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate
SMILESCNCC(=O)OSOC(=O)CN
InChIInChI=1S/C5H10N2O4S/c1-7-3-5(9)11-12-10-4(8)2-6/h7H,2-3,6H2,1H3
InChIKeyYCJNZLZPDRHGFO-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.19
Rot. Bonds5

About [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate

[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate (PubChem CID 90850764) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate.

Molecular Properties

Compound Name[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate
PubChem CID90850764
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate
SMILESCNCC(=O)OSOC(=O)CN
InChIInChI=1S/C5H10N2O4S/c1-7-3-5(9)11-12-10-4(8)2-6/h7H,2-3,6H2,1H3
InChIKeyYCJNZLZPDRHGFO-UHFFFAOYSA-N
XLogP-1.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate?
The IUPAC name of [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate (CID 90850764) is [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate.
What is the SMILES notation for [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate?
The canonical SMILES for [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate is CNCC(=O)OSOC(=O)CN.
What is the InChIKey of [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate?
The InChIKey is YCJNZLZPDRHGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-7-3-5(9)11-12-10-4(8)2-6/h7H,2-3,6H2,1H3.
What are the key properties of [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate?
[2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate has a molecular weight of 194.21 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)acetyl]oxysulfanyl 2-aminoacetate is sourced from PubChem (CID 90850764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).