(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

C20H16FNO3 — CID 45114305

IUPAC(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyJVSARVOIIXAOKH-GOSISDBHSA-N
MW337.35 g/mol
LogP3.40
Rot. Bonds5

About (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 45114305) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID45114305
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyJVSARVOIIXAOKH-GOSISDBHSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (CID 45114305) is (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is O=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is JVSARVOIIXAOKH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 337.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 45114305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).