[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate

C11H13NO4 — CID 7980270

IUPAC[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESCNC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C11H13NO4/c1-12-10(13)7-16-11(14)8-15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyMTXCWRNXAPKOSS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.35
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate

[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 7980270) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID7980270
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESCNC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C11H13NO4/c1-12-10(13)7-16-11(14)8-15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyMTXCWRNXAPKOSS-UHFFFAOYSA-N
XLogP0.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806365
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate (CID 7980270) is [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate is CNC(=O)COC(=O)COc1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is MTXCWRNXAPKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12-10(13)7-16-11(14)8-15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate?
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 223.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 7980270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).