ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate

C15H20F3NO3 — CID 24813514

IUPACethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](COC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c1-3-22-14(20)9-13(15(16,17)18)19-12(10-21-2)11-7-5-4-6-8-11/h4-8,12-13,19H,3,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyYYWQRLWYLPWNKJ-QWHCGFSZSA-N
MW319.32 g/mol
LogP2.85
Rot. Bonds8

About ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate

ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate (PubChem CID 24813514) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate
PubChem CID24813514
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Nameethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](COC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c1-3-22-14(20)9-13(15(16,17)18)19-12(10-21-2)11-7-5-4-6-8-11/h4-8,12-13,19H,3,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyYYWQRLWYLPWNKJ-QWHCGFSZSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate with MolForge

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Related Compounds

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Ethyl [(3-chloropropyl)amino](phenyl)acetate
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CID 16759377

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate?
The IUPAC name of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate (CID 24813514) is ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate.
What is the SMILES notation for ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate?
The canonical SMILES for ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate is CCOC(=O)C[C@@H](N[C@@H](COC)c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate?
The InChIKey is YYWQRLWYLPWNKJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-3-22-14(20)9-13(15(16,17)18)19-12(10-21-2)11-7-5-4-6-8-11/h4-8,12-13,19H,3,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate?
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate has a molecular weight of 319.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate is sourced from PubChem (CID 24813514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).