CID 134866252

C14H24B2N4O4 — CID 134866252

IUPAC—
SMILES[B]CC(=O)N(CCNC(=O)CN(CCNC)C(=O)C[B])CC(C)=O
InChIInChI=1S/C14H24B2N4O4/c1-11(21)9-19(13(23)7-15)6-4-18-12(22)10-20(5-3-17-2)14(24)8-16/h17H,3-10H2,1-2H3,(H,18,22)
InChIKeyPHCZOFKJAVMVNP-UHFFFAOYSA-N
MW333.99 g/mol
LogP-2.26
Rot. Bonds12

About CID 134866252

CID 134866252 (PubChem CID 134866252) has the molecular formula C14H24B2N4O4 and a molecular weight of 333.99 g/mol.

Molecular Properties

Compound NameCID 134866252
PubChem CID134866252
Molecular FormulaC14H24B2N4O4
Molecular Weight333.99 g/mol
Exact Mass334.20
IUPAC Name—
SMILES[B]CC(=O)N(CCNC(=O)CN(CCNC)C(=O)C[B])CC(C)=O
InChIInChI=1S/C14H24B2N4O4/c1-11(21)9-19(13(23)7-15)6-4-18-12(22)10-20(5-3-17-2)14(24)8-16/h17H,3-10H2,1-2H3,(H,18,22)
InChIKeyPHCZOFKJAVMVNP-UHFFFAOYSA-N
XLogP-2.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.99
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134866252?
The IUPAC name of CID 134866252 (CID 134866252) is not available.
What is the SMILES notation for CID 134866252?
The canonical SMILES for CID 134866252 is [B]CC(=O)N(CCNC(=O)CN(CCNC)C(=O)C[B])CC(C)=O.
What is the InChIKey of CID 134866252?
The InChIKey is PHCZOFKJAVMVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24B2N4O4/c1-11(21)9-19(13(23)7-15)6-4-18-12(22)10-20(5-3-17-2)14(24)8-16/h17H,3-10H2,1-2H3,(H,18,22).
What are the key properties of CID 134866252?
CID 134866252 has a molecular weight of 333.99 g/mol, XLogP of -2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134866252 is sourced from PubChem (CID 134866252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).