[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate

C11H14N2O3 — CID 61321081

IUPAC[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
SMILESCNC(=O)COC(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-13-10(14)7-16-11(15)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyICZBDCYHEUGELZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.10
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate

[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate (PubChem CID 61321081) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
PubChem CID61321081
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
SMILESCNC(=O)COC(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-13-10(14)7-16-11(15)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyICZBDCYHEUGELZ-UHFFFAOYSA-N
XLogP0.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-methylacetamide
CID 16772909
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
(3-hydroxy-3-methylbutyl) 2-(2-aminophenyl)acetate
CID 79356038
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 78763973
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate (CID 61321081) is [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate is CNC(=O)COC(=O)Cc1ccccc1N.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The InChIKey is ICZBDCYHEUGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13-10(14)7-16-11(15)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61321081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).