2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate

C13H19NO4 — CID 69049238

IUPAC2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
SMILESCCOCCOC(=O)C(O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-17-8-9-18-13(16)12(15)11(14)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9,14H2,1H3/t11-,12?/m1/s1
InChIKeyCHEPVGXZGOEWOV-JHJMLUEUSA-N
MW253.30 g/mol
LogP0.63
Rot. Bonds7

About 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate

2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate (PubChem CID 69049238) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
PubChem CID69049238
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
SMILESCCOCCOC(=O)C(O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-17-8-9-18-13(16)12(15)11(14)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9,14H2,1H3/t11-,12?/m1/s1
InChIKeyCHEPVGXZGOEWOV-JHJMLUEUSA-N
XLogP0.63
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-ethoxyethyl 2-phenylsulfanylpropanoate
CID 78832473
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3-amino-2-hydroxy-3-phenylpropanoate
CID 22033560
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate?
The IUPAC name of 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate (CID 69049238) is 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate is CCOCCOC(=O)C(O)[C@H](N)c1ccccc1.
What is the InChIKey of 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate?
The InChIKey is CHEPVGXZGOEWOV-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-8-9-18-13(16)12(15)11(14)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9,14H2,1H3/t11-,12?/m1/s1.
What are the key properties of 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate?
2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate has a molecular weight of 253.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 69049238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).