bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid

C8H17N3O7S — CID 22493014

IUPACbis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
SMILESNCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)CS
InChIInChI=1S/C4H7NO3S.2C2H5NO2/c6-3(2-9)5-1-4(7)8;2*3-1-2(4)5/h9H,1-2H2,(H,5,6)(H,7,8);2*1,3H2,(H,4,5)
InChIKeyWEFFDFHFSFOAMT-UHFFFAOYSA-N
MW299.31 g/mol
LogP-2.82
Rot. Bonds5

About bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid

bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid (PubChem CID 22493014) has the molecular formula C8H17N3O7S and a molecular weight of 299.31 g/mol. Its IUPAC name is bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
PubChem CID22493014
Molecular FormulaC8H17N3O7S
Molecular Weight299.31 g/mol
Exact Mass299.08
IUPAC Namebis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
SMILESNCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)CS
InChIInChI=1S/C4H7NO3S.2C2H5NO2/c6-3(2-9)5-1-4(7)8;2*3-1-2(4)5/h9H,1-2H2,(H,5,6)(H,7,8);2*1,3H2,(H,4,5)
InChIKeyWEFFDFHFSFOAMT-UHFFFAOYSA-N
XLogP-2.82
TPSA193.04 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.31
LogP ≤ 5-2.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)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 bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid?
The IUPAC name of bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid (CID 22493014) is bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid.
What is the SMILES notation for bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid?
The canonical SMILES for bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid is NCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)CS.
What is the InChIKey of bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid?
The InChIKey is WEFFDFHFSFOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S.2C2H5NO2/c6-3(2-9)5-1-4(7)8;2*3-1-2(4)5/h9H,1-2H2,(H,5,6)(H,7,8);2*1,3H2,(H,4,5).
What are the key properties of bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid?
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid has a molecular weight of 299.31 g/mol, XLogP of -2.82, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 22493014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).