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

C10H11NO3 — CID 14033068

IUPAC[2-(methylamino)-2-oxoethyl] benzoate
SMILESCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-11-9(12)7-14-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyZWAHHEQQTJUTPW-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.59
Rot. Bonds3

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

[2-(methylamino)-2-oxoethyl] benzoate (PubChem CID 14033068) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] benzoate
PubChem CID14033068
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name[2-(methylamino)-2-oxoethyl] benzoate
SMILESCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-11-9(12)7-14-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyZWAHHEQQTJUTPW-UHFFFAOYSA-N
XLogP0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(methylamino)-2-oxoethyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
CID 172688243
CID 172688243
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-(tert-butylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2602250
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195544
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
(2-hydroxy-3-methylbut-2-enyl) benzoate
CID 162371830
bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 3899797

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] benzoate (CID 14033068) is [2-(methylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] benzoate is CNC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] benzoate?
The InChIKey is ZWAHHEQQTJUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-9(12)7-14-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of [2-(methylamino)-2-oxoethyl] benzoate?
[2-(methylamino)-2-oxoethyl] benzoate has a molecular weight of 193.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).