2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid

C4H8N2O5S — CID 144633573

IUPAC2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid
SMILESNCC(=O)NC(O)(SO)C(=O)O
InChIInChI=1S/C4H8N2O5S/c5-1-2(7)6-4(10,12-11)3(8)9/h10-11H,1,5H2,(H,6,7)(H,8,9)
InChIKeyXEWURJLMCDFDGR-UHFFFAOYSA-N
MW196.18 g/mol
LogP-2.00
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid

2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid (PubChem CID 144633573) has the molecular formula C4H8N2O5S and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid
PubChem CID144633573
Molecular FormulaC4H8N2O5S
Molecular Weight196.18 g/mol
Exact Mass196.02
IUPAC Name2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid
SMILESNCC(=O)NC(O)(SO)C(=O)O
InChIInChI=1S/C4H8N2O5S/c5-1-2(7)6-4(10,12-11)3(8)9/h10-11H,1,5H2,(H,6,7)(H,8,9)
InChIKeyXEWURJLMCDFDGR-UHFFFAOYSA-N
XLogP-2.00
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid (CID 144633573) is 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid is NCC(=O)NC(O)(SO)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid?
The InChIKey is XEWURJLMCDFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5S/c5-1-2(7)6-4(10,12-11)3(8)9/h10-11H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid?
2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid has a molecular weight of 196.18 g/mol, XLogP of -2.00, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid is sourced from PubChem (CID 144633573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).