ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate

C14H21FN2O4 — CID 81298550

IUPACethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H21FN2O4/c1-2-21-11(18)10(15)17-12(19)14(16-13(17)20)8-6-4-3-5-7-9-14/h10H,2-9H2,1H3,(H,16,20)
InChIKeyOPHNIOJDGWBTCC-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.88
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate

ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate (PubChem CID 81298550) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate
PubChem CID81298550
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H21FN2O4/c1-2-21-11(18)10(15)17-12(19)14(16-13(17)20)8-6-4-3-5-7-9-14/h10H,2-9H2,1H3,(H,16,20)
InChIKeyOPHNIOJDGWBTCC-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate (CID 81298550) is ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate is CCOC(=O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate?
The InChIKey is OPHNIOJDGWBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-2-21-11(18)10(15)17-12(19)14(16-13(17)20)8-6-4-3-5-7-9-14/h10H,2-9H2,1H3,(H,16,20).
What are the key properties of ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate?
ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate has a molecular weight of 300.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetate is sourced from PubChem (CID 81298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).