carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium

C10H11BO4Y-2 — CID 59525438

IUPACcarbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium
SMILESO=C(O)C[C@H]1OB(O)c2c[c-]ccc21.[CH3-].[Y]
InChIInChI=1S/C9H8BO4.CH3.Y/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8;;/h1,3-4,8,13H,5H2,(H,11,12);1H3;/q2*-1;/t8-;;/m1../s1
InChIKeyBFWWPAAGQCCQAD-YCBDHFTFSA-N
MW294.91 g/mol
LogP0.17
Rot. Bonds2

About carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium

carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium (PubChem CID 59525438) has the molecular formula C10H11BO4Y-2 and a molecular weight of 294.91 g/mol. Its IUPAC name is carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium.

Molecular Properties

Compound Namecarbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium
PubChem CID59525438
Molecular FormulaC10H11BO4Y-2
Molecular Weight294.91 g/mol
Exact Mass294.98
IUPAC Namecarbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium
SMILESO=C(O)C[C@H]1OB(O)c2c[c-]ccc21.[CH3-].[Y]
InChIInChI=1S/C9H8BO4.CH3.Y/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8;;/h1,3-4,8,13H,5H2,(H,11,12);1H3;/q2*-1;/t8-;;/m1../s1
InChIKeyBFWWPAAGQCCQAD-YCBDHFTFSA-N
XLogP0.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.91
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium?
The IUPAC name of carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium (CID 59525438) is carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium.
What is the SMILES notation for carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium?
The canonical SMILES for carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium is O=C(O)C[C@H]1OB(O)c2c[c-]ccc21.[CH3-].[Y].
What is the InChIKey of carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium?
The InChIKey is BFWWPAAGQCCQAD-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H8BO4.CH3.Y/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8;;/h1,3-4,8,13H,5H2,(H,11,12);1H3;/q2*-1;/t8-;;/m1../s1.
What are the key properties of carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium?
carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium has a molecular weight of 294.91 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(3R)-1-hydroxy-3,6-dihydro-2,1-benzoxaborol-6-id-3-yl]acetic acid;yttrium is sourced from PubChem (CID 59525438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).