methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate

C8H12FNO2 — CID 122237354

IUPACmethyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate
SMILESCOC(=O)C(N)C12CC(F)(C1)C2
InChIInChI=1S/C8H12FNO2/c1-12-6(11)5(10)7-2-8(9,3-7)4-7/h5H,2-4,10H2,1H3
InChIKeyLZLLNTPWKQSELP-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.38
Rot. Bonds2

About methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate

methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate (PubChem CID 122237354) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate
PubChem CID122237354
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Namemethyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate
SMILESCOC(=O)C(N)C12CC(F)(C1)C2
InChIInChI=1S/C8H12FNO2/c1-12-6(11)5(10)7-2-8(9,3-7)4-7/h5H,2-4,10H2,1H3
InChIKeyLZLLNTPWKQSELP-UHFFFAOYSA-N
XLogP0.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.38
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 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate?
The IUPAC name of methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate (CID 122237354) is methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate?
The canonical SMILES for methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate is COC(=O)C(N)C12CC(F)(C1)C2.
What is the InChIKey of methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate?
The InChIKey is LZLLNTPWKQSELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-12-6(11)5(10)7-2-8(9,3-7)4-7/h5H,2-4,10H2,1H3.
What are the key properties of methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate?
methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate has a molecular weight of 173.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate is sourced from PubChem (CID 122237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).