2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid

C12H17FN2O4 — CID 81297442

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C12H17FN2O4/c13-8(9(16)17)15-10(18)12(14-11(15)19)6-4-2-1-3-5-7-12/h8H,1-7H2,(H,14,19)(H,16,17)
InChIKeyXNARQJRMTNIGBB-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.40
Rot. Bonds2

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

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid (PubChem CID 81297442) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid
PubChem CID81297442
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C12H17FN2O4/c13-8(9(16)17)15-10(18)12(14-11(15)19)6-4-2-1-3-5-7-12/h8H,1-7H2,(H,14,19)(H,16,17)
InChIKeyXNARQJRMTNIGBB-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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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Related Compounds

2-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)acetic acid
CID 4996089
2-(2,4-Dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 3162834
2-{6-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 4984973
2-{8-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 4868347
2-(8-Ethyl-2,4-dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 4868349
2-{7,7-Dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 64468863
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide
CID 2583620
1-[2-Oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid
CID 174178910
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 2583584
3-(3-Amino-1,1,1-trifluoropropan-2-yl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43752796
2-[2,4-Dioxo-8-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 64754036
2-[2,4-Dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 64759005

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid (CID 81297442) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid is O=C(O)C(F)N1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid?
The InChIKey is XNARQJRMTNIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c13-8(9(16)17)15-10(18)12(14-11(15)19)6-4-2-1-3-5-7-12/h8H,1-7H2,(H,14,19)(H,16,17).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid has a molecular weight of 272.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).