methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate

C8H14FNO3 — CID 134296114

IUPACmethyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate
SMILESCOC(=O)CN(CCF)CC(C)=O
InChIInChI=1S/C8H14FNO3/c1-7(11)5-10(4-3-9)6-8(12)13-2/h3-6H2,1-2H3
InChIKeyGIGRUCZHGPFCTC-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.02
Rot. Bonds6

About methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate

methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate (PubChem CID 134296114) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate
PubChem CID134296114
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate
SMILESCOC(=O)CN(CCF)CC(C)=O
InChIInChI=1S/C8H14FNO3/c1-7(11)5-10(4-3-9)6-8(12)13-2/h3-6H2,1-2H3
InChIKeyGIGRUCZHGPFCTC-UHFFFAOYSA-N
XLogP0.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[2-fluoropropyl(methyl)amino]acetate
CID 44521769
Methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 44521774
N,N-dibutylglycine methyl ester
CID 13879346
Methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 80602496
2-[Dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azaniumyl]acetate
CID 140686863
2-[3-Carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate
CID 140799661
Carbmethoxymethyl-tri-n-propylammonium bromide
CID 24832996
Methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
CID 60698120
Methyl 2-[propyl(2,2,2-trifluoroethyl)amino]acetate
CID 61604800
Methyl 2-[2,2-difluoroethyl(propyl)amino]acetate
CID 62011160
Ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
CID 62736946
Methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate
CID 62737139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate?
The IUPAC name of methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate (CID 134296114) is methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate?
The canonical SMILES for methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate is COC(=O)CN(CCF)CC(C)=O.
What is the InChIKey of methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate?
The InChIKey is GIGRUCZHGPFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-7(11)5-10(4-3-9)6-8(12)13-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate?
methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate has a molecular weight of 191.20 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoroethyl(2-oxopropyl)amino]acetate is sourced from PubChem (CID 134296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).