ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate

C14H16F3NO3 — CID 168966530

IUPACethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(F)(F)F)[C@H](C)c1ccccc1
InChIInChI=1S/C14H16F3NO3/c1-3-21-12(19)9-18(13(20)14(15,16)17)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyWCMPCGWKWRYRQO-SNVBAGLBSA-N
MW303.28 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate

ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 168966530) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID168966530
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Nameethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(F)(F)F)[C@H](C)c1ccccc1
InChIInChI=1S/C14H16F3NO3/c1-3-21-12(19)9-18(13(20)14(15,16)17)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyWCMPCGWKWRYRQO-SNVBAGLBSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate (CID 168966530) is ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate is CCOC(=O)CN(C(=O)C(F)(F)F)[C@H](C)c1ccccc1.
What is the InChIKey of ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is WCMPCGWKWRYRQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-3-21-12(19)9-18(13(20)14(15,16)17)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 303.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 168966530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).