methylboronamidic acid

CH6BNO — CID 18341614

IUPACmethylboronamidic acid
SMILESCB(N)O
InChIInChI=1S/CH6BNO/c1-2(3)4/h4H,3H2,1H3
InChIKeyDJROISGEVWCKBM-UHFFFAOYSA-N
MW58.88 g/mol
LogP-0.94
Rot. Bonds

About methylboronamidic acid

methylboronamidic acid (PubChem CID 18341614) has the molecular formula CH6BNO and a molecular weight of 58.88 g/mol. Its IUPAC name is methylboronamidic acid.

Molecular Properties

Compound Namemethylboronamidic acid
PubChem CID18341614
Molecular FormulaCH6BNO
Molecular Weight58.88 g/mol
Exact Mass59.05
IUPAC Namemethylboronamidic acid
SMILESCB(N)O
InChIInChI=1S/CH6BNO/c1-2(3)4/h4H,3H2,1H3
InChIKeyDJROISGEVWCKBM-UHFFFAOYSA-N
XLogP-0.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.88
LogP ≤ 5-0.94
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

CID 159329141
CID 159329141
ethylboronamidic acid
CID 21334156
bromo(methyl)borinic acid
CID 91047548
boric acid;hydrazine;hexahydrate
CID 160899098
2,3-dimethylbutane-2,3-diol;methylboronic acid
CID 86587082
boric acid;N-methylmethanamine
CID 173322246
boric acid;N,N-dimethylmethanamine
CID 87240079
boric acid;N-methylmethanamine
CID 87105713
acetaldehyde;ethane;methane;methylboronic acid
CID 160616162
1,2-dimethylcyclobutane;methylboronic acid
CID 90968222
methylboronic acid;tris(1,3,5-trimethylbenzene)
CID 158888379
N-(3-aminopropyl)-methylboronamidic acid
CID 58781361

Frequently Asked Questions

What is the IUPAC name of methylboronamidic acid?
The IUPAC name of methylboronamidic acid (CID 18341614) is methylboronamidic acid.
What is the SMILES notation for methylboronamidic acid?
The canonical SMILES for methylboronamidic acid is CB(N)O.
What is the InChIKey of methylboronamidic acid?
The InChIKey is DJROISGEVWCKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6BNO/c1-2(3)4/h4H,3H2,1H3.
What are the key properties of methylboronamidic acid?
methylboronamidic acid has a molecular weight of 58.88 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylboronamidic acid is sourced from PubChem (CID 18341614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).