methyl 3-[benzyl(methyl)amino]propanoate

C12H17NO2 — CID 824679

IUPACmethyl 3-[benzyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-13(9-8-12(14)15-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyKFBMLSVBKSZULA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds5

About methyl 3-[benzyl(methyl)amino]propanoate

methyl 3-[benzyl(methyl)amino]propanoate (PubChem CID 824679) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 3-[benzyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl(methyl)amino]propanoate
PubChem CID824679
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 3-[benzyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-13(9-8-12(14)15-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyKFBMLSVBKSZULA-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[benzyl(methyl)amino]propanoate (CID 824679) is methyl 3-[benzyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzyl(methyl)amino]propanoate is COC(=O)CCN(C)Cc1ccccc1.
What is the InChIKey of methyl 3-[benzyl(methyl)amino]propanoate?
The InChIKey is KFBMLSVBKSZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(9-8-12(14)15-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of methyl 3-[benzyl(methyl)amino]propanoate?
methyl 3-[benzyl(methyl)amino]propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl(methyl)amino]propanoate is sourced from PubChem (CID 824679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).