methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate

C9H16FNO4 — CID 44521774

IUPACmethyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)F
InChIInChI=1S/C9H16FNO4/c1-7(10)4-11(5-8(12)14-2)6-9(13)15-3/h7H,4-6H2,1-3H3
InChIKeyCNQVWKKEYMUENG-UHFFFAOYSA-N
MW221.23 g/mol
LogP-0.01
Rot. Bonds6

About methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 44521774) has the molecular formula C9H16FNO4 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID44521774
Molecular FormulaC9H16FNO4
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(C)F
InChIInChI=1S/C9H16FNO4/c1-7(10)4-11(5-8(12)14-2)6-9(13)15-3/h7H,4-6H2,1-3H3
InChIKeyCNQVWKKEYMUENG-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 44521774) is methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC(C)F.
What is the InChIKey of methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is CNQVWKKEYMUENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO4/c1-7(10)4-11(5-8(12)14-2)6-9(13)15-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 221.23 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 44521774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).