CID 58670470

C11H23N2O3 — CID 58670470

IUPAC—
SMILESC[N]C(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H23N2O3/c1-10(2)6-8(16-9(14)12-5)7-11(3,4)13(10)15/h8-9,14-15H,6-7H2,1-5H3
InChIKeyJNBVXSSXURBFDD-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.92
Rot. Bonds3

About CID 58670470

CID 58670470 (PubChem CID 58670470) has the molecular formula C11H23N2O3 and a molecular weight of 231.32 g/mol.

Molecular Properties

Compound NameCID 58670470
PubChem CID58670470
Molecular FormulaC11H23N2O3
Molecular Weight231.32 g/mol
Exact Mass231.17
IUPAC Name—
SMILESC[N]C(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H23N2O3/c1-10(2)6-8(16-9(14)12-5)7-11(3,4)13(10)15/h8-9,14-15H,6-7H2,1-5H3
InChIKeyJNBVXSSXURBFDD-UHFFFAOYSA-N
XLogP0.92
TPSA67.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58670470?
The IUPAC name of CID 58670470 (CID 58670470) is not available.
What is the SMILES notation for CID 58670470?
The canonical SMILES for CID 58670470 is C[N]C(O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of CID 58670470?
The InChIKey is JNBVXSSXURBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O3/c1-10(2)6-8(16-9(14)12-5)7-11(3,4)13(10)15/h8-9,14-15H,6-7H2,1-5H3.
What are the key properties of CID 58670470?
CID 58670470 has a molecular weight of 231.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58670470 is sourced from PubChem (CID 58670470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).