methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate

C14H21NO5 — CID 170884561

IUPACmethyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
SMILESCOCCOc1ccc(CC(N)C(=O)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-6-7-20-12-5-4-10(9-13(12)18-2)8-11(15)14(16)19-3/h4-5,9,11H,6-8,15H2,1-3H3
InChIKeyXXTWMLJWEBJKFF-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.76
Rot. Bonds8

About methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate

methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate (PubChem CID 170884561) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
PubChem CID170884561
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
SMILESCOCCOc1ccc(CC(N)C(=O)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-6-7-20-12-5-4-10(9-13(12)18-2)8-11(15)14(16)19-3/h4-5,9,11H,6-8,15H2,1-3H3
InChIKeyXXTWMLJWEBJKFF-UHFFFAOYSA-N
XLogP0.76
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)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

Related Compounds

methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
ethane;methyl 3-amino-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]butanoate
CID 145356356
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate (CID 170884561) is methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate is COCCOc1ccc(CC(N)C(=O)OC)cc1OC.
What is the InChIKey of methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate?
The InChIKey is XXTWMLJWEBJKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-6-7-20-12-5-4-10(9-13(12)18-2)8-11(15)14(16)19-3/h4-5,9,11H,6-8,15H2,1-3H3.
What are the key properties of methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate?
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate has a molecular weight of 283.32 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate is sourced from PubChem (CID 170884561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).