2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid

C12H17FN2O4 — CID 81297287

IUPAC2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid
SMILESCC1CCCC(C)C12NC(=O)N(C(F)C(=O)O)C2=O
InChIInChI=1S/C12H17FN2O4/c1-6-4-3-5-7(2)12(6)10(18)15(11(19)14-12)8(13)9(16)17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyGJMUVLZSCSQYIW-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.11
Rot. Bonds2

About 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid

2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid (PubChem CID 81297287) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid
PubChem CID81297287
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid
SMILESCC1CCCC(C)C12NC(=O)N(C(F)C(=O)O)C2=O
InChIInChI=1S/C12H17FN2O4/c1-6-4-3-5-7(2)12(6)10(18)15(11(19)14-12)8(13)9(16)17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyGJMUVLZSCSQYIW-UHFFFAOYSA-N
XLogP1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid (CID 81297287) is 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid is CC1CCCC(C)C12NC(=O)N(C(F)C(=O)O)C2=O.
What is the InChIKey of 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid?
The InChIKey is GJMUVLZSCSQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-6-4-3-5-7(2)12(6)10(18)15(11(19)14-12)8(13)9(16)17/h6-8H,3-5H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid?
2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid has a molecular weight of 272.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).