boric acid;diamino oxalate

C2H7BN2O7 — CID 174898866

IUPACboric acid;diamino oxalate
SMILESNOC(=O)C(=O)ON.OB(O)O
InChIInChI=1S/C2H4N2O4.BH3O3/c3-7-1(5)2(6)8-4;2-1(3)4/h3-4H2;2-4H
InChIKeyNFBFUWCRKJTYCD-UHFFFAOYSA-N
MW181.90 g/mol
LogP-4.23
Rot. Bonds

About boric acid;diamino oxalate

boric acid;diamino oxalate (PubChem CID 174898866) has the molecular formula C2H7BN2O7 and a molecular weight of 181.90 g/mol. Its IUPAC name is boric acid;diamino oxalate.

Molecular Properties

Compound Nameboric acid;diamino oxalate
PubChem CID174898866
Molecular FormulaC2H7BN2O7
Molecular Weight181.90 g/mol
Exact Mass182.03
IUPAC Nameboric acid;diamino oxalate
SMILESNOC(=O)C(=O)ON.OB(O)O
InChIInChI=1S/C2H4N2O4.BH3O3/c3-7-1(5)2(6)8-4;2-1(3)4/h3-4H2;2-4H
InChIKeyNFBFUWCRKJTYCD-UHFFFAOYSA-N
XLogP-4.23
TPSA165.33 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.90
LogP ≤ 5-4.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-O-amino 1-O-carboxy oxalate
CID 155682346
aluminum;tris(2-aminooxy-2-oxoacetate);titanium
CID 173298818
CID 87074036
CID 87074036
diamino 2,3-dimethylbutanedioate
CID 22892701
2-aminooxy-2-oxoacetic acid;propanoic acid
CID 174645946
amino acetate;gold(1+)
CID 175460419
boric acid;thiourea;urea
CID 87857793
amino acetate;methanol
CID 174604339
bis(trifluoromethyl) oxalate;boric acid
CID 174985556
boric acid
CID 173080807
diamino 2-[[4-(3-aminooxy-2-aminooxycarbonyl-3-oxoprop-1-enyl)phenyl]methylidene]propanedioate
CID 159438211
1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319

Frequently Asked Questions

What is the IUPAC name of boric acid;diamino oxalate?
The IUPAC name of boric acid;diamino oxalate (CID 174898866) is boric acid;diamino oxalate.
What is the SMILES notation for boric acid;diamino oxalate?
The canonical SMILES for boric acid;diamino oxalate is NOC(=O)C(=O)ON.OB(O)O.
What is the InChIKey of boric acid;diamino oxalate?
The InChIKey is NFBFUWCRKJTYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4.BH3O3/c3-7-1(5)2(6)8-4;2-1(3)4/h3-4H2;2-4H.
What are the key properties of boric acid;diamino oxalate?
boric acid;diamino oxalate has a molecular weight of 181.90 g/mol, XLogP of -4.23, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;diamino oxalate is sourced from PubChem (CID 174898866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).