2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid

C12H18N2O3 — CID 115240669

IUPAC2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
SMILESCCOc1ccc(CNCC(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O3/c1-2-17-10-5-3-9(4-6-10)7-14-8-11(13)12(15)16/h3-6,11,14H,2,7-8,13H2,1H3,(H,15,16)
InChIKeyGWOPMRVTYMGFPC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.59
Rot. Bonds7

About 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid

2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid (PubChem CID 115240669) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
PubChem CID115240669
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
SMILESCCOc1ccc(CNCC(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O3/c1-2-17-10-5-3-9(4-6-10)7-14-8-11(13)12(15)16/h3-6,11,14H,2,7-8,13H2,1H3,(H,15,16)
InChIKeyGWOPMRVTYMGFPC-UHFFFAOYSA-N
XLogP0.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(4-ethoxyphenyl)methylamino]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-4-[(4-ethoxyphenyl)methylamino]butanoic acid
CID 115241193
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
2-amino-3-[(4-ethylsulfanylphenyl)methylamino]propanoic acid
CID 115240702
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
CID 115240733
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid (CID 115240669) is 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid is CCOc1ccc(CNCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid?
The InChIKey is GWOPMRVTYMGFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-10-5-3-9(4-6-10)7-14-8-11(13)12(15)16/h3-6,11,14H,2,7-8,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid?
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 115240669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).