2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid

C15H22N2O4 — CID 170880036

IUPAC2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
SMILESCCOc1cc(N2CCOCC2)ccc1CC(N)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-2-21-14-10-12(17-5-7-20-8-6-17)4-3-11(14)9-13(16)15(18)19/h3-4,10,13H,2,5-9,16H2,1H3,(H,18,19)
InChIKeyKJCISGRIASNDDG-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid

2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid (PubChem CID 170880036) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
PubChem CID170880036
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
SMILESCCOc1cc(N2CCOCC2)ccc1CC(N)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-2-21-14-10-12(17-5-7-20-8-6-17)4-3-11(14)9-13(16)15(18)19/h3-4,10,13H,2,5-9,16H2,1H3,(H,18,19)
InChIKeyKJCISGRIASNDDG-UHFFFAOYSA-N
XLogP0.88
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
3-ethoxy-4-(morpholin-4-ylmethyl)benzamide
CID 68978840
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
CID 130392111
3-(2-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241529

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid (CID 170880036) is 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid is CCOc1cc(N2CCOCC2)ccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is KJCISGRIASNDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-21-14-10-12(17-5-7-20-8-6-17)4-3-11(14)9-13(16)15(18)19/h3-4,10,13H,2,5-9,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid?
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 170880036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).