(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid

C22H23NO3 — CID 46884265

IUPAC(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/C1=CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO3/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/h4-7,9-11,13-15,20H,1-3,8,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
InChIKeyCVBHCSXOSPOTJO-AQDCRGGLSA-N
MW349.43 g/mol
LogP4.47
Rot. Bonds6

About (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid

(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid (PubChem CID 46884265) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid.

Molecular Properties

Compound Name(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
PubChem CID46884265
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid
SMILESO=C(N[C@H](C/C=C/C1=CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO3/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/h4-7,9-11,13-15,20H,1-3,8,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
InChIKeyCVBHCSXOSPOTJO-AQDCRGGLSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21987656
Abt-839
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Amiglumide
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(2S)-2-{[4-({[(2S)-1-cyclohexyl-3-(ethylsulfanyl)propan-2-yl]amino}methyl)-2-(2-methylphenyl)phenyl]formamido}-4-(methylsulfanyl)butanoic acid
CID 10721546
H-Cdp-ala-Gly-Phe-leu-OH
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H-Cdp-Gly-Gly-Phe-Leu-OH
CID 44439880
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
(2R,3S)-1-(phenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic Acid
CID 9864550
Naphthalene carboxamide, 18a
CID 11773558
(2s,3r)-1-(Phenanthren-2-Ylcarbonyl)piperazine-2,3-Dicarboxylic Acid
CID 20811874

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The IUPAC name of (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid (CID 46884265) is (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid.
What is the SMILES notation for (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The canonical SMILES for (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid is O=C(N[C@H](C/C=C/C1=CCCCC1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
The InChIKey is CVBHCSXOSPOTJO-AQDCRGGLSA-N. The full InChI is InChI=1S/C22H23NO3/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/h4-7,9-11,13-15,20H,1-3,8,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1.
What are the key properties of (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid?
(E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid has a molecular weight of 349.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-(cyclohexen-1-yl)-2-(naphthalene-2-carbonylamino)pent-4-enoic acid is sourced from PubChem (CID 46884265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).