dicarbamoyloxyborinic acid

C2H5BN2O5 — CID 175471984

IUPACdicarbamoyloxyborinic acid
SMILESNC(=O)OB(O)OC(N)=O
InChIInChI=1S/C2H5BN2O5/c4-1(6)9-3(8)10-2(5)7/h8H,(H2,4,6)(H2,5,7)
InChIKeyHGHUFMKRMGXZSW-UHFFFAOYSA-N
MW147.88 g/mol
LogP-1.85
Rot. Bonds2

About dicarbamoyloxyborinic acid

dicarbamoyloxyborinic acid (PubChem CID 175471984) has the molecular formula C2H5BN2O5 and a molecular weight of 147.88 g/mol. Its IUPAC name is dicarbamoyloxyborinic acid.

Molecular Properties

Compound Namedicarbamoyloxyborinic acid
PubChem CID175471984
Molecular FormulaC2H5BN2O5
Molecular Weight147.88 g/mol
Exact Mass148.03
IUPAC Namedicarbamoyloxyborinic acid
SMILESNC(=O)OB(O)OC(N)=O
InChIInChI=1S/C2H5BN2O5/c4-1(6)9-3(8)10-2(5)7/h8H,(H2,4,6)(H2,5,7)
InChIKeyHGHUFMKRMGXZSW-UHFFFAOYSA-N
XLogP-1.85
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.88
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

calcium;dicarboxyoxyborinic acid;hydride
CID 175129148
ruthenium;urea
CID 161030938
2-[hydroxy(oxalooxy)boranyl]oxy-2-oxoacetic acid;silver
CID 175112898
boric acid;ethyl carbamate
CID 161179489
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
carbamoyl carbamate;dihydrochloride
CID 175326234
diamino(113C)methanone
CID 636363
methylurea;ruthenium
CID 159209634
boric acid;thiourea;urea
CID 87857793
formaldehyde;propanediamide
CID 161283557
disodium;carbamoyl carbamoperoxoate;hydride
CID 173126478
prop-2-enamide;ruthenium
CID 90254548

Frequently Asked Questions

What is the IUPAC name of dicarbamoyloxyborinic acid?
The IUPAC name of dicarbamoyloxyborinic acid (CID 175471984) is dicarbamoyloxyborinic acid.
What is the SMILES notation for dicarbamoyloxyborinic acid?
The canonical SMILES for dicarbamoyloxyborinic acid is NC(=O)OB(O)OC(N)=O.
What is the InChIKey of dicarbamoyloxyborinic acid?
The InChIKey is HGHUFMKRMGXZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BN2O5/c4-1(6)9-3(8)10-2(5)7/h8H,(H2,4,6)(H2,5,7).
What are the key properties of dicarbamoyloxyborinic acid?
dicarbamoyloxyborinic acid has a molecular weight of 147.88 g/mol, XLogP of -1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicarbamoyloxyborinic acid is sourced from PubChem (CID 175471984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).