(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid

C20H14F3NO3 — CID 46884113

IUPAC(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14F3NO3/c21-15-7-11(8-16(22)18(15)23)9-17(20(26)27)24-19(25)14-6-5-12-3-1-2-4-13(12)10-14/h1-8,10,17H,9H2,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyJGAATFACQPEKMB-QGZVFWFLSA-N
MW373.33 g/mol
LogP3.68
Rot. Bonds5

About (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid

(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid (PubChem CID 46884113) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
PubChem CID46884113
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14F3NO3/c21-15-7-11(8-16(22)18(15)23)9-17(20(26)27)24-19(25)14-6-5-12-3-1-2-4-13(12)10-14/h1-8,10,17H,9H2,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyJGAATFACQPEKMB-QGZVFWFLSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid (CID 46884113) is (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid is O=C(N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid?
The InChIKey is JGAATFACQPEKMB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14F3NO3/c21-15-7-11(8-16(22)18(15)23)9-17(20(26)27)24-19(25)14-6-5-12-3-1-2-4-13(12)10-14/h1-8,10,17H,9H2,(H,24,25)(H,26,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid?
(2R)-2-(naphthalene-2-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid has a molecular weight of 373.33 g/mol, XLogP of 3.68, 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-(3,4,5-trifluorophenyl)propanoic acid is sourced from PubChem (CID 46884113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).