methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate

C15H24N2O4 — CID 170884590

IUPACmethyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-17(2)7-8-21-13-6-5-11(10-14(13)19-3)9-12(16)15(18)20-4/h5-6,10,12H,7-9,16H2,1-4H3
InChIKeyHKHXTDQJRNPRQD-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.68
Rot. Bonds8

About methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate

methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate (PubChem CID 170884590) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
PubChem CID170884590
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-17(2)7-8-21-13-6-5-11(10-14(13)19-3)9-12(16)15(18)20-4/h5-6,10,12H,7-9,16H2,1-4H3
InChIKeyHKHXTDQJRNPRQD-UHFFFAOYSA-N
XLogP0.68
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]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-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate (CID 170884590) is methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate is COC(=O)C(N)Cc1ccc(OCCN(C)C)c(OC)c1.
What is the InChIKey of methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
The InChIKey is HKHXTDQJRNPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)7-8-21-13-6-5-11(10-14(13)19-3)9-12(16)15(18)20-4/h5-6,10,12H,7-9,16H2,1-4H3.
What are the key properties of methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate?
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate has a molecular weight of 296.37 g/mol, XLogP of 0.68, 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-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate is sourced from PubChem (CID 170884590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).