methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate

C8H12FNO3 — CID 59557463

IUPACmethyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(C)=O)CC([18F])C1
InChIInChI=1S/C8H12FNO3/c1-5(11)10-8(7(12)13-2)3-6(9)4-8/h6H,3-4H2,1-2H3,(H,10,11)/i9-1
InChIKeyHCXLQMGUHNEZIT-RVRFMXCPSA-N
MW188.19 g/mol
LogP0.17
Rot. Bonds2

About methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate

methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate (PubChem CID 59557463) has the molecular formula C8H12FNO3 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate
PubChem CID59557463
Molecular FormulaC8H12FNO3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Namemethyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(C)=O)CC([18F])C1
InChIInChI=1S/C8H12FNO3/c1-5(11)10-8(7(12)13-2)3-6(9)4-8/h6H,3-4H2,1-2H3,(H,10,11)/i9-1
InChIKeyHCXLQMGUHNEZIT-RVRFMXCPSA-N
XLogP0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate?
The IUPAC name of methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate (CID 59557463) is methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate is COC(=O)C1(NC(C)=O)CC([18F])C1.
What is the InChIKey of methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate?
The InChIKey is HCXLQMGUHNEZIT-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-5(11)10-8(7(12)13-2)3-6(9)4-8/h6H,3-4H2,1-2H3,(H,10,11)/i9-1.
What are the key properties of methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate?
methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate has a molecular weight of 188.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetamido-3-(18F)fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 59557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).