methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate

C12H14FNO4 — CID 143607537

IUPACmethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Oc1ccc(C)c(F)c1
InChIInChI=1S/C12H14FNO4/c1-8-4-5-9(6-10(8)13)18-12(16)14(2)7-11(15)17-3/h4-6H,7H2,1-3H3
InChIKeyVEPQRPUAYDRSAM-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate

methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate (PubChem CID 143607537) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate
PubChem CID143607537
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Oc1ccc(C)c(F)c1
InChIInChI=1S/C12H14FNO4/c1-8-4-5-9(6-10(8)13)18-12(16)14(2)7-11(15)17-3/h4-6H,7H2,1-3H3
InChIKeyVEPQRPUAYDRSAM-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 4-[(3-fluoro-4-methylbenzoyl)-methylamino]butanoate
CID 54943134
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
(3-fluoro-4-methylphenyl) 4-methylbenzoate
CID 22944687
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate (CID 143607537) is methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate is COC(=O)CN(C)C(=O)Oc1ccc(C)c(F)c1.
What is the InChIKey of methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate?
The InChIKey is VEPQRPUAYDRSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-8-4-5-9(6-10(8)13)18-12(16)14(2)7-11(15)17-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate?
methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate has a molecular weight of 255.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate is sourced from PubChem (CID 143607537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).