(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid

C21H16F3NO3 — CID 46884048

IUPAC(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)17-7-3-4-13(10-17)11-18(20(27)28)25-19(26)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,25,26)(H,27,28)/t18-/m1/s1
InChIKeyBFGGKKPGABBYSG-GOSISDBHSA-N
MW387.36 g/mol
LogP4.28
Rot. Bonds5

About (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid

(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 46884048) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID46884048
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)17-7-3-4-13(10-17)11-18(20(27)28)25-19(26)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,25,26)(H,27,28)/t18-/m1/s1
InChIKeyBFGGKKPGABBYSG-GOSISDBHSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 46884048) is (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is BFGGKKPGABBYSG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H16F3NO3/c22-21(23,24)17-7-3-4-13(10-17)11-18(20(27)28)25-19(26)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,25,26)(H,27,28)/t18-/m1/s1.
What are the key properties of (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid?
(2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 387.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalene-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 46884048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).