guanidine;oxalic acid

C3H7N3O4 — CID 18421375

IUPACguanidine;oxalic acid
SMILESO=C(O)C(=O)O.[H]N=C(N)N
InChIInChI=1S/C2H2O4.CH5N3/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);(H5,2,3,4)
InChIKeyPBPSWRVGRHWHEW-UHFFFAOYSA-N
MW149.11 g/mol
LogP-2.01
Rot. Bonds

About guanidine;oxalic acid

guanidine;oxalic acid (PubChem CID 18421375) has the molecular formula C3H7N3O4 and a molecular weight of 149.11 g/mol. Its IUPAC name is guanidine;oxalic acid.

Molecular Properties

Compound Nameguanidine;oxalic acid
PubChem CID18421375
Molecular FormulaC3H7N3O4
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Nameguanidine;oxalic acid
SMILESO=C(O)C(=O)O.[H]N=C(N)N
InChIInChI=1S/C2H2O4.CH5N3/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);(H5,2,3,4)
InChIKeyPBPSWRVGRHWHEW-UHFFFAOYSA-N
XLogP-2.01
TPSA150.49 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze guanidine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;guanidine;lanthanum
CID 162180739
guanidine;hydrazinecarboxylic acid
CID 162000755
guanidine;2-hydroxyacetic acid;hydrochloride
CID 175041207
methanimine;oxalic acid
CID 174274665
hydroxylamine;oxalic acid;hydrochloride
CID 175032202
[amino(azaniumylidene)methyl]azanium;carbonic acid;guanidine
CID 170842941
cobalt;bis(ethane-1,2-diamine);oxalic acid
CID 50897291
guanidine;trihydrochloride
CID 23165990
oxalic acid;trihydrochloride
CID 140553783
aluminum guanidine
CID 172795268

Frequently Asked Questions

What is the IUPAC name of guanidine;oxalic acid?
The IUPAC name of guanidine;oxalic acid (CID 18421375) is guanidine;oxalic acid.
What is the SMILES notation for guanidine;oxalic acid?
The canonical SMILES for guanidine;oxalic acid is O=C(O)C(=O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;oxalic acid?
The InChIKey is PBPSWRVGRHWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.CH5N3/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);(H5,2,3,4).
What are the key properties of guanidine;oxalic acid?
guanidine;oxalic acid has a molecular weight of 149.11 g/mol, XLogP of -2.01, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;oxalic acid is sourced from PubChem (CID 18421375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).