2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid

C8H13N3O5S — CID 15333909

IUPAC2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESCC(=O)SNCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)17-11-3-7(14)9-2-6(13)10-4-8(15)16/h11H,2-4H2,1H3,(H,9,14)(H,10,13)(H,15,16)
InChIKeyDGRMZYLOSCXKBL-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.91
Rot. Bonds7

About 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 15333909) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid
PubChem CID15333909
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESCC(=O)SNCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)17-11-3-7(14)9-2-6(13)10-4-8(15)16/h11H,2-4H2,1H3,(H,9,14)(H,10,13)(H,15,16)
InChIKeyDGRMZYLOSCXKBL-UHFFFAOYSA-N
XLogP-1.91
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic 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-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid (CID 15333909) is 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid is CC(=O)SNCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is DGRMZYLOSCXKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5(12)17-11-3-7(14)9-2-6(13)10-4-8(15)16/h11H,2-4H2,1H3,(H,9,14)(H,10,13)(H,15,16).
What are the key properties of 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 263.27 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 15333909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).