(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid

C22H19NO3 — CID 45100499

IUPAC(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
InChIKeyOOTIJYFZZMIZHN-AQDCRGGLSA-N
MW345.40 g/mol
LogP4.13
Rot. Bonds6

About (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid

(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid (PubChem CID 45100499) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid
PubChem CID45100499
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
InChIKeyOOTIJYFZZMIZHN-AQDCRGGLSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid?
The IUPAC name of (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid (CID 45100499) is (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid?
The canonical SMILES for (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid is O=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid?
The InChIKey is OOTIJYFZZMIZHN-AQDCRGGLSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1.
What are the key properties of (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid?
(E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoic acid is sourced from PubChem (CID 45100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).