[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid

C7H11N3O5S — CID 118982081

IUPAC[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid
SMILESO=C(O)NC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C7H11N3O5S/c11-4(1-9-6(13)3-16)8-2-5(12)10-7(14)15/h16H,1-3H2,(H,8,11)(H,9,13)(H,10,12)(H,14,15)
InChIKeyZUGIYRIJQOFCAH-UHFFFAOYSA-N
MW249.25 g/mol
LogP-2.06
Rot. Bonds5

About [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid

[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid (PubChem CID 118982081) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid.

Molecular Properties

Compound Name[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid
PubChem CID118982081
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid
SMILESO=C(O)NC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C7H11N3O5S/c11-4(1-9-6(13)3-16)8-2-5(12)10-7(14)15/h16H,1-3H2,(H,8,11)(H,9,13)(H,10,12)(H,14,15)
InChIKeyZUGIYRIJQOFCAH-UHFFFAOYSA-N
XLogP-2.06
TPSA124.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid?
The IUPAC name of [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid (CID 118982081) is [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid.
What is the SMILES notation for [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid?
The canonical SMILES for [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid is O=C(O)NC(=O)CNC(=O)CNC(=O)CS.
What is the InChIKey of [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid?
The InChIKey is ZUGIYRIJQOFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c11-4(1-9-6(13)3-16)8-2-5(12)10-7(14)15/h16H,1-3H2,(H,8,11)(H,9,13)(H,10,12)(H,14,15).
What are the key properties of [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid?
[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid has a molecular weight of 249.25 g/mol, XLogP of -2.06, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid is sourced from PubChem (CID 118982081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).