3-[benzyl(methyl)amino]propanoic acid

C11H15NO2 — CID 15147385

IUPAC3-[benzyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyPYZWKFUBWBLIAN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds5

About 3-[benzyl(methyl)amino]propanoic acid

3-[benzyl(methyl)amino]propanoic acid (PubChem CID 15147385) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]propanoic acid
PubChem CID15147385
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[benzyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyPYZWKFUBWBLIAN-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl(methyl)amino]propanoic acid (CID 15147385) is 3-[benzyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(methyl)amino]propanoic acid is CN(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]propanoic acid?
The InChIKey is PYZWKFUBWBLIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of 3-[benzyl(methyl)amino]propanoic acid?
3-[benzyl(methyl)amino]propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]propanoic acid is sourced from PubChem (CID 15147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).