ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate

C16H25N3O3 — CID 174467561

IUPACethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(N2CCOCC2)cc1CN
InChIInChI=1S/C16H25N3O3/c1-3-22-16(20)12(2)18-15-5-4-14(10-13(15)11-17)19-6-8-21-9-7-19/h4-5,10,12,18H,3,6-9,11,17H2,1-2H3
InChIKeyKETZZEFCFSXRDZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate

ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate (PubChem CID 174467561) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
PubChem CID174467561
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(N2CCOCC2)cc1CN
InChIInChI=1S/C16H25N3O3/c1-3-22-16(20)12(2)18-15-5-4-14(10-13(15)11-17)19-6-8-21-9-7-19/h4-5,10,12,18H,3,6-9,11,17H2,1-2H3
InChIKeyKETZZEFCFSXRDZ-UHFFFAOYSA-N
XLogP1.35
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]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 (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
methyl 2-[[5-(aminomethyl)-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propanoate
CID 118626972
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
CID 163917311
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
1-(2-bromo-5-morpholin-4-ylphenyl)-3-ethoxyurea
CID 126831122
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate?
The IUPAC name of ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate (CID 174467561) is ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate is CCOC(=O)C(C)Nc1ccc(N2CCOCC2)cc1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate?
The InChIKey is KETZZEFCFSXRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-22-16(20)12(2)18-15-5-4-14(10-13(15)11-17)19-6-8-21-9-7-19/h4-5,10,12,18H,3,6-9,11,17H2,1-2H3.
What are the key properties of ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate?
ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate has a molecular weight of 307.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate is sourced from PubChem (CID 174467561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).