[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate

C6H10N2O4S — CID 57286029

IUPAC[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate
SMILESNCC(=O)OC(=O)CNC(=O)CS
InChIInChI=1S/C6H10N2O4S/c7-1-5(10)12-6(11)2-8-4(9)3-13/h13H,1-3,7H2,(H,8,9)
InChIKeyUJCDPGZPMXQMKD-UHFFFAOYSA-N
MW206.22 g/mol
LogP-1.94
Rot. Bonds4

About [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate

[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate (PubChem CID 57286029) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate
PubChem CID57286029
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate
SMILESNCC(=O)OC(=O)CNC(=O)CS
InChIInChI=1S/C6H10N2O4S/c7-1-5(10)12-6(11)2-8-4(9)3-13/h13H,1-3,7H2,(H,8,9)
InChIKeyUJCDPGZPMXQMKD-UHFFFAOYSA-N
XLogP-1.94
TPSA98.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate?
The IUPAC name of [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate (CID 57286029) is [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate.
What is the SMILES notation for [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate?
The canonical SMILES for [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate is NCC(=O)OC(=O)CNC(=O)CS.
What is the InChIKey of [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate?
The InChIKey is UJCDPGZPMXQMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c7-1-5(10)12-6(11)2-8-4(9)3-13/h13H,1-3,7H2,(H,8,9).
What are the key properties of [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate?
[2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate has a molecular weight of 206.22 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-sulfanylacetyl)amino]acetyl] 2-aminoacetate is sourced from PubChem (CID 57286029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).