amino-carbamoyl-methylboranuide

C2H8BN2O- — CID 134889820

IUPACamino-carbamoyl-methylboranuide
SMILESC[BH-](N)C(N)=O
InChIInChI=1S/C2H8BN2O/c1-3(5)2(4)6/h3H,5H2,1H3,(H2,4,6)/q-1
InChIKeyBBQIDTVWAGYURE-UHFFFAOYSA-N
MW86.91 g/mol
LogP-1.04
Rot. Bonds1

About amino-carbamoyl-methylboranuide

amino-carbamoyl-methylboranuide (PubChem CID 134889820) has the molecular formula C2H8BN2O- and a molecular weight of 86.91 g/mol. Its IUPAC name is amino-carbamoyl-methylboranuide.

Molecular Properties

Compound Nameamino-carbamoyl-methylboranuide
PubChem CID134889820
Molecular FormulaC2H8BN2O-
Molecular Weight86.91 g/mol
Exact Mass87.07
IUPAC Nameamino-carbamoyl-methylboranuide
SMILESC[BH-](N)C(N)=O
InChIInChI=1S/C2H8BN2O/c1-3(5)2(4)6/h3H,5H2,1H3,(H2,4,6)/q-1
InChIKeyBBQIDTVWAGYURE-UHFFFAOYSA-N
XLogP-1.04
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.91
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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acetamide;titanium
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acetamide;alumane
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acetamide;bismuthane
CID 174469104
nickel(2+) dicarbamate
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acetamide;rhodium(2+)
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CID 173288560

Frequently Asked Questions

What is the IUPAC name of amino-carbamoyl-methylboranuide?
The IUPAC name of amino-carbamoyl-methylboranuide (CID 134889820) is amino-carbamoyl-methylboranuide.
What is the SMILES notation for amino-carbamoyl-methylboranuide?
The canonical SMILES for amino-carbamoyl-methylboranuide is C[BH-](N)C(N)=O.
What is the InChIKey of amino-carbamoyl-methylboranuide?
The InChIKey is BBQIDTVWAGYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8BN2O/c1-3(5)2(4)6/h3H,5H2,1H3,(H2,4,6)/q-1.
What are the key properties of amino-carbamoyl-methylboranuide?
amino-carbamoyl-methylboranuide has a molecular weight of 86.91 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-carbamoyl-methylboranuide is sourced from PubChem (CID 134889820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).