methyl (2S)-2-[benzyl(methyl)amino]propanoate

C12H17NO2 — CID 11138282

IUPACmethyl (2S)-2-[benzyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(12(14)15-3)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyICLIPUDSQHQCDK-JTQLQIEISA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds4

About methyl (2S)-2-[benzyl(methyl)amino]propanoate

methyl (2S)-2-[benzyl(methyl)amino]propanoate (PubChem CID 11138282) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl (2S)-2-[benzyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[benzyl(methyl)amino]propanoate
PubChem CID11138282
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl (2S)-2-[benzyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(12(14)15-3)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyICLIPUDSQHQCDK-JTQLQIEISA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze methyl (2S)-2-[benzyl(methyl)amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[benzyl(methyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[benzyl(methyl)amino]propanoate (CID 11138282) is methyl (2S)-2-[benzyl(methyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[benzyl(methyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[benzyl(methyl)amino]propanoate is COC(=O)[C@H](C)N(C)Cc1ccccc1.
What is the InChIKey of methyl (2S)-2-[benzyl(methyl)amino]propanoate?
The InChIKey is ICLIPUDSQHQCDK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(12(14)15-3)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[benzyl(methyl)amino]propanoate?
methyl (2S)-2-[benzyl(methyl)amino]propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[benzyl(methyl)amino]propanoate is sourced from PubChem (CID 11138282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).