2-[[amino-(sulfanylamino)methylidene]amino]acetic acid

C3H7N3O2S — CID 123890398

IUPAC2-[[amino-(sulfanylamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)NS
InChIInChI=1S/C3H7N3O2S/c4-3(6-9)5-1-2(7)8/h9H,1H2,(H,7,8)(H3,4,5,6)
InChIKeyFYIGRSBYJFFVAE-UHFFFAOYSA-N
MW149.18 g/mol
LogP-1.18
Rot. Bonds2

About 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid

2-[[amino-(sulfanylamino)methylidene]amino]acetic acid (PubChem CID 123890398) has the molecular formula C3H7N3O2S and a molecular weight of 149.18 g/mol. Its IUPAC name is 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[amino-(sulfanylamino)methylidene]amino]acetic acid
PubChem CID123890398
Molecular FormulaC3H7N3O2S
Molecular Weight149.18 g/mol
Exact Mass149.03
IUPAC Name2-[[amino-(sulfanylamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)NS
InChIInChI=1S/C3H7N3O2S/c4-3(6-9)5-1-2(7)8/h9H,1H2,(H,7,8)(H3,4,5,6)
InChIKeyFYIGRSBYJFFVAE-UHFFFAOYSA-N
XLogP-1.18
TPSA87.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid (CID 123890398) is 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid is N/C(=N\CC(=O)O)NS.
What is the InChIKey of 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid?
The InChIKey is FYIGRSBYJFFVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2S/c4-3(6-9)5-1-2(7)8/h9H,1H2,(H,7,8)(H3,4,5,6).
What are the key properties of 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid?
2-[[amino-(sulfanylamino)methylidene]amino]acetic acid has a molecular weight of 149.18 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(sulfanylamino)methylidene]amino]acetic acid is sourced from PubChem (CID 123890398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).