CID 54145284

C3H5BO2 — CID 54145284

IUPAC—
SMILES[B]C(C)C(=O)O
InChIInChI=1S/C3H5BO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKeyKMARXONGARAOOC-UHFFFAOYSA-N
MW83.88 g/mol
LogP0.05
Rot. Bonds1

About CID 54145284

CID 54145284 (PubChem CID 54145284) has the molecular formula C3H5BO2 and a molecular weight of 83.88 g/mol.

Molecular Properties

Compound NameCID 54145284
PubChem CID54145284
Molecular FormulaC3H5BO2
Molecular Weight83.88 g/mol
Exact Mass84.04
IUPAC Name—
SMILES[B]C(C)C(=O)O
InChIInChI=1S/C3H5BO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKeyKMARXONGARAOOC-UHFFFAOYSA-N
XLogP0.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.88
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanoic acid
CID 173073412
CID 123310502
CID 123310502
alumane;2-methylpropanoic acid
CID 173068323
azane;2-methylpropanoic acid;hydrate
CID 161320294
2-hydroxypropanoic acid
CID 87075455
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
carbonic acid;2-methylpropane
CID 87262286
CID 20665408
CID 20665408
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of CID 54145284?
The IUPAC name of CID 54145284 (CID 54145284) is not available.
What is the SMILES notation for CID 54145284?
The canonical SMILES for CID 54145284 is [B]C(C)C(=O)O.
What is the InChIKey of CID 54145284?
The InChIKey is KMARXONGARAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6).
What are the key properties of CID 54145284?
CID 54145284 has a molecular weight of 83.88 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54145284 is sourced from PubChem (CID 54145284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).