CID 59071497

C11H25NO4P — CID 59071497

IUPAC—
SMILESCOP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25NO4P/c1-10(2,3)9(12(13)11(4,5)6)17(14,15-7)16-8/h9H,1-8H3
InChIKeyQYUSOZWNOQKMHN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.29
Rot. Bonds4

About CID 59071497

CID 59071497 (PubChem CID 59071497) has the molecular formula C11H25NO4P and a molecular weight of 266.30 g/mol.

Molecular Properties

Compound NameCID 59071497
PubChem CID59071497
Molecular FormulaC11H25NO4P
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name—
SMILESCOP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25NO4P/c1-10(2,3)9(12(13)11(4,5)6)17(14,15-7)16-8/h9H,1-8H3
InChIKeyQYUSOZWNOQKMHN-UHFFFAOYSA-N
XLogP3.29
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59071497?
The IUPAC name of CID 59071497 (CID 59071497) is not available.
What is the SMILES notation for CID 59071497?
The canonical SMILES for CID 59071497 is COP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 59071497?
The InChIKey is QYUSOZWNOQKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4P/c1-10(2,3)9(12(13)11(4,5)6)17(14,15-7)16-8/h9H,1-8H3.
What are the key properties of CID 59071497?
CID 59071497 has a molecular weight of 266.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59071497 is sourced from PubChem (CID 59071497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).