CID 174080892

C11H10B3NO4 — CID 174080892

IUPAC—
SMILES[B]C([B])N[C@@H](C)C(=O)c1ccc2c(c1)OC([B])(O)O2
InChIInChI=1S/C11H10B3NO4/c1-5(15-10(12)13)9(16)6-2-3-7-8(4-6)19-11(14,17)18-7/h2-5,10,15,17H,1H3/t5-,11?/m0/s1
InChIKeyZUIDIHJVEHESOI-ITZCMCNPSA-N
MW252.64 g/mol
LogP-0.99
Rot. Bonds4

About CID 174080892

CID 174080892 (PubChem CID 174080892) has the molecular formula C11H10B3NO4 and a molecular weight of 252.64 g/mol.

Molecular Properties

Compound NameCID 174080892
PubChem CID174080892
Molecular FormulaC11H10B3NO4
Molecular Weight252.64 g/mol
Exact Mass253.09
IUPAC Name—
SMILES[B]C([B])N[C@@H](C)C(=O)c1ccc2c(c1)OC([B])(O)O2
InChIInChI=1S/C11H10B3NO4/c1-5(15-10(12)13)9(16)6-2-3-7-8(4-6)19-11(14,17)18-7/h2-5,10,15,17H,1H3/t5-,11?/m0/s1
InChIKeyZUIDIHJVEHESOI-ITZCMCNPSA-N
XLogP-0.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 174080917
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CID 174080959
CID 174080959
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Frequently Asked Questions

What is the IUPAC name of CID 174080892?
The IUPAC name of CID 174080892 (CID 174080892) is not available.
What is the SMILES notation for CID 174080892?
The canonical SMILES for CID 174080892 is [B]C([B])N[C@@H](C)C(=O)c1ccc2c(c1)OC([B])(O)O2.
What is the InChIKey of CID 174080892?
The InChIKey is ZUIDIHJVEHESOI-ITZCMCNPSA-N. The full InChI is InChI=1S/C11H10B3NO4/c1-5(15-10(12)13)9(16)6-2-3-7-8(4-6)19-11(14,17)18-7/h2-5,10,15,17H,1H3/t5-,11?/m0/s1.
What are the key properties of CID 174080892?
CID 174080892 has a molecular weight of 252.64 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174080892 is sourced from PubChem (CID 174080892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).