(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid

C22H20FNO3 — CID 46884233

IUPAC(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid
SMILESO=C(N[C@H](CCCc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,4,6,10H2,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyALMHNZJBLAPQMI-HXUWFJFHSA-N
MW365.40 g/mol
LogP4.18
Rot. Bonds7

About (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid

(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid (PubChem CID 46884233) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid
PubChem CID46884233
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid
SMILESO=C(N[C@H](CCCc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,4,6,10H2,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyALMHNZJBLAPQMI-HXUWFJFHSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid (CID 46884233) is (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid is O=C(N[C@H](CCCc1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid?
The InChIKey is ALMHNZJBLAPQMI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,4,6,10H2,(H,24,25)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid?
(2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid has a molecular weight of 365.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 46884233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).