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

C3H7N3O3 — CID 10820563

IUPAC2-[[amino-(hydroxyamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)NO
InChIInChI=1S/C3H7N3O3/c4-3(6-9)5-1-2(7)8/h9H,1H2,(H,7,8)(H3,4,5,6)
InChIKeyQJADCXYTCUMVKH-UHFFFAOYSA-N
MW133.11 g/mol
LogP-1.64
Rot. Bonds2

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

2-[[amino-(hydroxyamino)methylidene]amino]acetic acid (PubChem CID 10820563) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[amino-(hydroxyamino)methylidene]amino]acetic acid
PubChem CID10820563
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Name2-[[amino-(hydroxyamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)NO
InChIInChI=1S/C3H7N3O3/c4-3(6-9)5-1-2(7)8/h9H,1H2,(H,7,8)(H3,4,5,6)
InChIKeyQJADCXYTCUMVKH-UHFFFAOYSA-N
XLogP-1.64
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Guanidinoacetic Acid
CID 763
N-Formimidoylglycine
CID 908
Carbamimidamidoacetate
CID 21951818
N-(Diaminomethylidene)(2,2-~2~H_2_)glycine
CID 71309039
2-[[Amino-(diaminomethylideneamino)methylidene]amino]acetic acid
CID 10654504
Glycocyamine hydrochloride
CID 12205329
Guanidoacetic acid hydrobromide
CID 129655063
N-(Diaminomethylidene)(~13~C_2_)glycine
CID 45039367
2-(Diaminomethylideneamino)-2-fluoroacetic acid
CID 57082315
(Diaminomethylideneamino) 2-(diaminomethylideneamino)acetate
CID 18473214
2-(Diaminomethylideneamino)acetic acid;methane
CID 20975273
2-(Diaminomethylideneamino)acetic acid;ethane
CID 21519934

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid (CID 10820563) is 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid is N/C(=N\CC(=O)O)NO.
What is the InChIKey of 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid?
The InChIKey is QJADCXYTCUMVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O3/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-(hydroxyamino)methylidene]amino]acetic acid?
2-[[amino-(hydroxyamino)methylidene]amino]acetic acid has a molecular weight of 133.11 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(hydroxyamino)methylidene]amino]acetic acid is sourced from PubChem (CID 10820563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).