2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid

C13H20N2O3 — CID 115240818

IUPAC2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
SMILESCOc1ccc(C)cc1CCNCC(N)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-9-3-4-12(18-2)10(7-9)5-6-15-8-11(14)13(16)17/h3-4,7,11,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyXABUGDIXSXYOAB-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.55
Rot. Bonds7

About 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid

2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid (PubChem CID 115240818) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
PubChem CID115240818
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
SMILESCOc1ccc(C)cc1CCNCC(N)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-9-3-4-12(18-2)10(7-9)5-6-15-8-11(14)13(16)17/h3-4,7,11,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyXABUGDIXSXYOAB-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
CID 115240663

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid (CID 115240818) is 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid is COc1ccc(C)cc1CCNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid?
The InChIKey is XABUGDIXSXYOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-3-4-12(18-2)10(7-9)5-6-15-8-11(14)13(16)17/h3-4,7,11,15H,5-6,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid?
2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 115240818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).