amino 3-[4-(methylamino)phenyl]propanoate

C10H14N2O2 — CID 118518971

IUPACamino 3-[4-(methylamino)phenyl]propanoate
SMILESCNc1ccc(CCC(=O)ON)cc1
InChIInChI=1S/C10H14N2O2/c1-12-9-5-2-8(3-6-9)4-7-10(13)14-11/h2-3,5-6,12H,4,7,11H2,1H3
InChIKeyPNGLPGOMOLHZKC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.08
Rot. Bonds4

About amino 3-[4-(methylamino)phenyl]propanoate

amino 3-[4-(methylamino)phenyl]propanoate (PubChem CID 118518971) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is amino 3-[4-(methylamino)phenyl]propanoate.

Molecular Properties

Compound Nameamino 3-[4-(methylamino)phenyl]propanoate
PubChem CID118518971
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameamino 3-[4-(methylamino)phenyl]propanoate
SMILESCNc1ccc(CCC(=O)ON)cc1
InChIInChI=1S/C10H14N2O2/c1-12-9-5-2-8(3-6-9)4-7-10(13)14-11/h2-3,5-6,12H,4,7,11H2,1H3
InChIKeyPNGLPGOMOLHZKC-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 3-[4-(methylamino)phenyl]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 amino 3-[4-(methylamino)phenyl]propanoate?
The IUPAC name of amino 3-[4-(methylamino)phenyl]propanoate (CID 118518971) is amino 3-[4-(methylamino)phenyl]propanoate.
What is the SMILES notation for amino 3-[4-(methylamino)phenyl]propanoate?
The canonical SMILES for amino 3-[4-(methylamino)phenyl]propanoate is CNc1ccc(CCC(=O)ON)cc1.
What is the InChIKey of amino 3-[4-(methylamino)phenyl]propanoate?
The InChIKey is PNGLPGOMOLHZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-9-5-2-8(3-6-9)4-7-10(13)14-11/h2-3,5-6,12H,4,7,11H2,1H3.
What are the key properties of amino 3-[4-(methylamino)phenyl]propanoate?
amino 3-[4-(methylamino)phenyl]propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-[4-(methylamino)phenyl]propanoate is sourced from PubChem (CID 118518971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).