cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate

C28H29NO4 — CID 134961864

IUPACcyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate
SMILESO=C(C[C@@H](c1ccccc1)[C@](O)(C(=O)OC1CCCCC1)c1ccccc1)c1ccccn1
InChIInChI=1S/C28H29NO4/c30-26(25-18-10-11-19-29-25)20-24(21-12-4-1-5-13-21)28(32,22-14-6-2-7-15-22)27(31)33-23-16-8-3-9-17-23/h1-2,4-7,10-15,18-19,23-24,32H,3,8-9,16-17,20H2/t24-,28-/m0/s1
InChIKeyJIXONRYUNSHCKH-CUBQBAPOSA-N
MW443.54 g/mol
LogP5.20
Rot. Bonds8

About cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate

cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate (PubChem CID 134961864) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate.

Molecular Properties

Compound Namecyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate
PubChem CID134961864
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Namecyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate
SMILESO=C(C[C@@H](c1ccccc1)[C@](O)(C(=O)OC1CCCCC1)c1ccccc1)c1ccccn1
InChIInChI=1S/C28H29NO4/c30-26(25-18-10-11-19-29-25)20-24(21-12-4-1-5-13-21)28(32,22-14-6-2-7-15-22)27(31)33-23-16-8-3-9-17-23/h1-2,4-7,10-15,18-19,23-24,32H,3,8-9,16-17,20H2/t24-,28-/m0/s1
InChIKeyJIXONRYUNSHCKH-CUBQBAPOSA-N
XLogP5.20
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate with MolForge

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Related Compounds

[(7R)-9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridin-7-yl]methyl benzoate
CID 58946060
3,3,3-Trifluoro-2-[4-[6-(4-hexylphenyl)-3-pyridinyl]benzoyl]oxypropanoic acid
CID 22913445
3,5-difluoro-4-[3-fluoro-6-[2-[4-[(2R,4R,5S,6R)-5-hydroxy-4,5,6-trimethyloxan-2-yl]-3-pyridinyl]acetyl]-2-pyridinyl]benzoic acid
CID 159504473
2'-(2-Pyridylcarbonyl)bi-phenyl-2-carboxylic acid
CID 13297405
dibenzyl 2-[(1S)-3-(1-oxidopyridin-1-ium-2-yl)-3-oxo-1-phenylpropyl]propanedioate
CID 135004623
4-Oxo-4-[3-(phenylmethoxymethyl)-2-pyridinyl]butanoic acid
CID 135024129
Hydroxy-diphenyl-acetic acid pyridin-2-ylmethyl ester
CID 214522
2-Hydroxy-2,2-diphenyl-1-pyridin-2-ylethanone
CID 14787567
[1-Methyl-1-(3-pyridin-2-ylpropyl)piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 11597457
(2S)-2-[[4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]methoxy]-3-phenylpropanoic acid
CID 11598153
(2R)-2-[[4-[(E)-3-[2-(4-propan-2-ylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]methoxy]propanoic acid
CID 11654903
(3,3,5-Trimethylcyclohexyl) 2-hydroxy-2-[2-(pyridine-3-carbonyl)phenyl]acetate
CID 19025882

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate?
The IUPAC name of cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate (CID 134961864) is cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate.
What is the SMILES notation for cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate?
The canonical SMILES for cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate is O=C(C[C@@H](c1ccccc1)[C@](O)(C(=O)OC1CCCCC1)c1ccccc1)c1ccccn1.
What is the InChIKey of cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate?
The InChIKey is JIXONRYUNSHCKH-CUBQBAPOSA-N. The full InChI is InChI=1S/C28H29NO4/c30-26(25-18-10-11-19-29-25)20-24(21-12-4-1-5-13-21)28(32,22-14-6-2-7-15-22)27(31)33-23-16-8-3-9-17-23/h1-2,4-7,10-15,18-19,23-24,32H,3,8-9,16-17,20H2/t24-,28-/m0/s1.
What are the key properties of cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate?
cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate has a molecular weight of 443.54 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R,3S)-2-hydroxy-5-oxo-2,3-diphenyl-5-pyridin-2-ylpentanoate is sourced from PubChem (CID 134961864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).