cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid

C26H40NO5P — CID 160567460

IUPACcyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C26H40NO5P/c28-23(19-33(31,32)18-21-11-5-2-6-12-21)15-16-25(29)24(17-20-9-3-1-4-10-20)27-26(30)22-13-7-8-14-22/h1,3-4,9-10,21-24,28H,2,5-8,11-19H2,(H,27,30)(H,31,32)/t23-,24+/m1/s1
InChIKeyRACNIDBHMBWUMD-RPWUZVMVSA-N
MW477.58 g/mol
LogP4.47
Rot. Bonds12

About cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid

cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid (PubChem CID 160567460) has the molecular formula C26H40NO5P and a molecular weight of 477.58 g/mol. Its IUPAC name is cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid.

Molecular Properties

Compound Namecyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid
PubChem CID160567460
Molecular FormulaC26H40NO5P
Molecular Weight477.58 g/mol
Exact Mass477.26
IUPAC Namecyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C26H40NO5P/c28-23(19-33(31,32)18-21-11-5-2-6-12-21)15-16-25(29)24(17-20-9-3-1-4-10-20)27-26(30)22-13-7-8-14-22/h1,3-4,9-10,21-24,28H,2,5-8,11-19H2,(H,27,30)(H,31,32)/t23-,24+/m1/s1
InChIKeyRACNIDBHMBWUMD-RPWUZVMVSA-N
XLogP4.47
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-7-methyl-5-oxooctyl]phosphinic acid
CID 157334887
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
CID 159076279
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-[(2S)-4-chloro-3,5-dioxo-1-phenylpentan-2-yl]cyclohexanecarboxamide
CID 54551967
(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
CID 103804303
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid?
The IUPAC name of cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid (CID 160567460) is cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid.
What is the SMILES notation for cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid?
The canonical SMILES for cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)CC[C@@H](O)CP(=O)(O)CC1CCCCC1)C1CCCC1.
What is the InChIKey of cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid?
The InChIKey is RACNIDBHMBWUMD-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H40NO5P/c28-23(19-33(31,32)18-21-11-5-2-6-12-21)15-16-25(29)24(17-20-9-3-1-4-10-20)27-26(30)22-13-7-8-14-22/h1,3-4,9-10,21-24,28H,2,5-8,11-19H2,(H,27,30)(H,31,32)/t23-,24+/m1/s1.
What are the key properties of cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid?
cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid has a molecular weight of 477.58 g/mol, XLogP of 4.47, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-[(2R,6S)-6-(cyclopentanecarbonylamino)-2-hydroxy-5-oxo-7-phenylheptyl]phosphinic acid is sourced from PubChem (CID 160567460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).