(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid

C15H16F3NO4 — CID 124700706

IUPAC(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C15H16F3NO4/c16-15(17,18)11-4-1-10(2-5-11)3-6-13(20)19-7-8-23-12(9-19)14(21)22/h1-2,4-5,12H,3,6-9H2,(H,21,22)/t12-/m1/s1
InChIKeyWHCQDMFHEBULJA-GFCCVEGCSA-N
MW331.29 g/mol
LogP1.95
Rot. Bonds4

About (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid

(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid (PubChem CID 124700706) has the molecular formula C15H16F3NO4 and a molecular weight of 331.29 g/mol. Its IUPAC name is (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
PubChem CID124700706
Molecular FormulaC15H16F3NO4
Molecular Weight331.29 g/mol
Exact Mass331.10
IUPAC Name(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C15H16F3NO4/c16-15(17,18)11-4-1-10(2-5-11)3-6-13(20)19-7-8-23-12(9-19)14(21)22/h1-2,4-5,12H,3,6-9H2,(H,21,22)/t12-/m1/s1
InChIKeyWHCQDMFHEBULJA-GFCCVEGCSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027
(2S)-4-[5-(4-bromophenyl)pentanoyl]morpholine-2-carboxylic acid
CID 124700538
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239847
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid (CID 124700706) is (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)CCO1.
What is the InChIKey of (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid?
The InChIKey is WHCQDMFHEBULJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F3NO4/c16-15(17,18)11-4-1-10(2-5-11)3-6-13(20)19-7-8-23-12(9-19)14(21)22/h1-2,4-5,12H,3,6-9H2,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid?
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid has a molecular weight of 331.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124700706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).