ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate

C15H21FN2O3 — CID 170885664

IUPACethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(N2CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-2-21-15(19)14(17)9-11-3-4-12(10-13(11)16)18-5-7-20-8-6-18/h3-4,10,14H,2,5-9,17H2,1H3
InChIKeyQFVKVIWHNGTSEJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate

ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate (PubChem CID 170885664) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
PubChem CID170885664
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nameethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(N2CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-2-21-15(19)14(17)9-11-3-4-12(10-13(11)16)18-5-7-20-8-6-18/h3-4,10,14H,2,5-9,17H2,1H3
InChIKeyQFVKVIWHNGTSEJ-UHFFFAOYSA-N
XLogP1.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
CID 174467561
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate (CID 170885664) is ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(N2CCOCC2)cc1F.
What is the InChIKey of ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate?
The InChIKey is QFVKVIWHNGTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-2-21-15(19)14(17)9-11-3-4-12(10-13(11)16)18-5-7-20-8-6-18/h3-4,10,14H,2,5-9,17H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate?
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate has a molecular weight of 296.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate is sourced from PubChem (CID 170885664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).