ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate

C13H19NO4 — CID 59324566

IUPACethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-4-18-12(15)6-5-9-7-10(14)13(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3
InChIKeyUUBSHADFWBMTEB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds6

About ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate

ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate (PubChem CID 59324566) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
PubChem CID59324566
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-4-18-12(15)6-5-9-7-10(14)13(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3
InChIKeyUUBSHADFWBMTEB-UHFFFAOYSA-N
XLogP1.78
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-(3-amino-4,5-dimethoxyphenyl)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

ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 18272515
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
ethyl 3-[2,3,4-trimethoxy-6-(methylamino)phenyl]propanoate
CID 142882125
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate (CID 59324566) is ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate is CCOC(=O)CCc1cc(N)c(OC)c(OC)c1.
What is the InChIKey of ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate?
The InChIKey is UUBSHADFWBMTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-12(15)6-5-9-7-10(14)13(17-3)11(8-9)16-2/h7-8H,4-6,14H2,1-3H3.
What are the key properties of ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate?
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 59324566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).