ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate

C18H28N2O4 — CID 170886109

IUPACethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4/c1-2-23-18(21)17(19)14-15-4-6-16(7-5-15)24-11-3-8-20-9-12-22-13-10-20/h4-7,17H,2-3,8-14,19H2,1H3
InChIKeyFTBWKXIOLWMBGH-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.22
Rot. Bonds9

About ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate

ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate (PubChem CID 170886109) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
PubChem CID170886109
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nameethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4/c1-2-23-18(21)17(19)14-15-4-6-16(7-5-15)24-11-3-8-20-9-12-22-13-10-20/h4-7,17H,2-3,8-14,19H2,1H3
InChIKeyFTBWKXIOLWMBGH-UHFFFAOYSA-N
XLogP1.22
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)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

2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
CID 170886095
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
ethyl (2S)-2-amino-3-[4-[3-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]propoxy]phenyl]propanoate
CID 156733057
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate (CID 170886109) is ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate?
The InChIKey is FTBWKXIOLWMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-2-23-18(21)17(19)14-15-4-6-16(7-5-15)24-11-3-8-20-9-12-22-13-10-20/h4-7,17H,2-3,8-14,19H2,1H3.
What are the key properties of ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate?
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate has a molecular weight of 336.43 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate is sourced from PubChem (CID 170886109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).