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

C14H18F3NO3 — CID 11220456

IUPACethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-2-21-13(20)8-12(14(15,16)17)18-11(9-19)10-6-4-3-5-7-10/h3-7,11-12,18-19H,2,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyDSWSXNPYMHXDCZ-NWDGAFQWSA-N
MW305.30 g/mol
LogP2.19
Rot. Bonds7

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

ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate (PubChem CID 11220456) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
PubChem CID11220456
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nameethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO3/c1-2-21-13(20)8-12(14(15,16)17)18-11(9-19)10-6-4-3-5-7-10/h3-7,11-12,18-19H,2,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyDSWSXNPYMHXDCZ-NWDGAFQWSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Ethyl 3-((2-ethoxy-2-oxo-1-phenylethyl)amino)propanoate
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ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate
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(3S,5R)-5-Phenyl-3-propyl-3-(trifluoromethyl)morpholin-2-one
CID 71422312
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CID 122585267
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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate?
The IUPAC name of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate (CID 11220456) is ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate.
What is the SMILES notation for ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate?
The canonical SMILES for ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate is CCOC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate?
The InChIKey is DSWSXNPYMHXDCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-2-21-13(20)8-12(14(15,16)17)18-11(9-19)10-6-4-3-5-7-10/h3-7,11-12,18-19H,2,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate?
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate has a molecular weight of 305.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 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-hydroxy-1-phenylethyl]amino]butanoate is sourced from PubChem (CID 11220456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).