benzyl 2-(methylamino)acetate

C10H13NO2 — CID 7019103

IUPACbenzyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11-7-10(12)13-8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyZKIFKIPAGDGRFG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.95
Rot. Bonds4

About benzyl 2-(methylamino)acetate

benzyl 2-(methylamino)acetate (PubChem CID 7019103) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is benzyl 2-(methylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(methylamino)acetate
PubChem CID7019103
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namebenzyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11-7-10(12)13-8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyZKIFKIPAGDGRFG-UHFFFAOYSA-N
XLogP0.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(methylamino)acetate?
The IUPAC name of benzyl 2-(methylamino)acetate (CID 7019103) is benzyl 2-(methylamino)acetate.
What is the SMILES notation for benzyl 2-(methylamino)acetate?
The canonical SMILES for benzyl 2-(methylamino)acetate is CNCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(methylamino)acetate?
The InChIKey is ZKIFKIPAGDGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-7-10(12)13-8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of benzyl 2-(methylamino)acetate?
benzyl 2-(methylamino)acetate has a molecular weight of 179.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(methylamino)acetate is sourced from PubChem (CID 7019103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).