ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

C15H22FNO4 — CID 61499280

IUPACethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H22FNO4/c1-3-21-15(19)11(2)17-8-13(18)10-20-9-12-6-4-5-7-14(12)16/h4-7,11,13,17-18H,3,8-10H2,1-2H3
InChIKeyBXAQGSJDEFOEDB-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.24
Rot. Bonds9

About ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (PubChem CID 61499280) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
PubChem CID61499280
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H22FNO4/c1-3-21-15(19)11(2)17-8-13(18)10-20-9-12-6-4-5-7-14(12)16/h4-7,11,13,17-18H,3,8-10H2,1-2H3
InChIKeyBXAQGSJDEFOEDB-UHFFFAOYSA-N
XLogP1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (CID 61499280) is ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is CCOC(=O)C(C)NCC(O)COCc1ccccc1F.
What is the InChIKey of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The InChIKey is BXAQGSJDEFOEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-3-21-15(19)11(2)17-8-13(18)10-20-9-12-6-4-5-7-14(12)16/h4-7,11,13,17-18H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate has a molecular weight of 299.34 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is sourced from PubChem (CID 61499280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).