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

C8H14FNO4 — CID 80602496

IUPACmethyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCF)CC(=O)OC
InChIInChI=1S/C8H14FNO4/c1-13-7(11)5-10(4-3-9)6-8(12)14-2/h3-6H2,1-2H3
InChIKeyNIPJYSDFZOYTPG-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.40
Rot. Bonds6

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

methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 80602496) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID80602496
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCF)CC(=O)OC
InChIInChI=1S/C8H14FNO4/c1-13-7(11)5-10(4-3-9)6-8(12)14-2/h3-6H2,1-2H3
InChIKeyNIPJYSDFZOYTPG-UHFFFAOYSA-N
XLogP-0.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Glycine, N,N-dimethyl-, methyl ester
CID 81569
Glycine, N,N-diethyl-, ethyl ester
CID 75843
N,N-Diethylglycine Methyl Ester
CID 559451
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate
CID 12770583
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
Methyl 2-[bis(2-methoxyethyl)amino]acetate
CID 47010756
2-(2-Fluoroethoxy)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride
CID 46044
(Bis(2-methoxyethyl)amino)acetic acid
CID 9815497
Nitrilotriacetic acid monoethyl ester
CID 54043700
Trimethyl 2,2',2''-nitrilotriacetate
CID 14440960
Glycine, N,N-bis(2-ethoxyethyl)-, ethyl ester
CID 24838487

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 80602496) is methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCF)CC(=O)OC.
What is the InChIKey of methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is NIPJYSDFZOYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-13-7(11)5-10(4-3-9)6-8(12)14-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 207.20 g/mol, XLogP of -0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoroethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 80602496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).