CID 89208019

C15H25BN4O4 — CID 89208019

IUPAC—
SMILES[B]N1CCN(C(=O)CC2CCN(C(N)=O)CC2)[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H25BN4O4/c1-2-24-14(22)12-10-19(16)7-8-20(12)13(21)9-11-3-5-18(6-4-11)15(17)23/h11-12H,2-10H2,1H3,(H2,17,23)/t12-/m1/s1
InChIKeyKQXPXWDYWJNPOZ-GFCCVEGCSA-N
MW336.20 g/mol
LogP-0.67
Rot. Bonds4

About CID 89208019

CID 89208019 (PubChem CID 89208019) has the molecular formula C15H25BN4O4 and a molecular weight of 336.20 g/mol.

Molecular Properties

Compound NameCID 89208019
PubChem CID89208019
Molecular FormulaC15H25BN4O4
Molecular Weight336.20 g/mol
Exact Mass336.20
IUPAC Name—
SMILES[B]N1CCN(C(=O)CC2CCN(C(N)=O)CC2)[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H25BN4O4/c1-2-24-14(22)12-10-19(16)7-8-20(12)13(21)9-11-3-5-18(6-4-11)15(17)23/h11-12H,2-10H2,1H3,(H2,17,23)/t12-/m1/s1
InChIKeyKQXPXWDYWJNPOZ-GFCCVEGCSA-N
XLogP-0.67
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
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 89208019?
The IUPAC name of CID 89208019 (CID 89208019) is not available.
What is the SMILES notation for CID 89208019?
The canonical SMILES for CID 89208019 is [B]N1CCN(C(=O)CC2CCN(C(N)=O)CC2)[C@@H](C(=O)OCC)C1.
What is the InChIKey of CID 89208019?
The InChIKey is KQXPXWDYWJNPOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25BN4O4/c1-2-24-14(22)12-10-19(16)7-8-20(12)13(21)9-11-3-5-18(6-4-11)15(17)23/h11-12H,2-10H2,1H3,(H2,17,23)/t12-/m1/s1.
What are the key properties of CID 89208019?
CID 89208019 has a molecular weight of 336.20 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89208019 is sourced from PubChem (CID 89208019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).