(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid

C22H18FNO3 — CID 46884263

IUPAC(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18FNO3/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/h1-9,11-14,20H,10H2,(H,24,25)(H,26,27)/b6-4+/t20-/m1/s1
InChIKeyAHPKDXRZHPUWCX-PEAOBZDDSA-N
MW363.39 g/mol
LogP4.27
Rot. Bonds6

About (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid

(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid (PubChem CID 46884263) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid.

Molecular Properties

Compound Name(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
PubChem CID46884263
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18FNO3/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/h1-9,11-14,20H,10H2,(H,24,25)(H,26,27)/b6-4+/t20-/m1/s1
InChIKeyAHPKDXRZHPUWCX-PEAOBZDDSA-N
XLogP4.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-Difluorophenylalanine derivative, 23a
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PLpro-IN-1
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2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
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(R)-2-Methyl-5-((methylamino)methyl)-N-(1-(naphthalen-1-yl)ethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The IUPAC name of (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid (CID 46884263) is (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid.
What is the SMILES notation for (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The canonical SMILES for (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid is O=C(N[C@H](C/C=C/c1cccc(F)c1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The InChIKey is AHPKDXRZHPUWCX-PEAOBZDDSA-N. The full InChI is InChI=1S/C22H18FNO3/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/h1-9,11-14,20H,10H2,(H,24,25)(H,26,27)/b6-4+/t20-/m1/s1.
What are the key properties of (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
(E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid has a molecular weight of 363.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid is sourced from PubChem (CID 46884263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).