1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate

C24H38NO6P — CID 169242668

IUPAC1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
SMILESCC(OC(=O)[C@H](C)NP(OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H38NO6P/c1-16-18(3)29-22(23(16)26)15-28-32(31-21-13-9-6-10-14-21)25-17(2)24(27)30-19(4)20-11-7-5-8-12-20/h6,9-10,13-14,16-20,22-23,25-26H,5,7-8,11-12,15H2,1-4H3/t16-,17-,18-,19?,22+,23-,32?/m0/s1
InChIKeyIBRYJHYVIQPMNS-FBYVWCPSSA-N
MW467.54 g/mol
LogP4.58
Rot. Bonds10

About 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate

1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate (PubChem CID 169242668) has the molecular formula C24H38NO6P and a molecular weight of 467.54 g/mol. Its IUPAC name is 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate.

Molecular Properties

Compound Name1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
PubChem CID169242668
Molecular FormulaC24H38NO6P
Molecular Weight467.54 g/mol
Exact Mass467.24
IUPAC Name1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
SMILESCC(OC(=O)[C@H](C)NP(OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H38NO6P/c1-16-18(3)29-22(23(16)26)15-28-32(31-21-13-9-6-10-14-21)25-17(2)24(27)30-19(4)20-11-7-5-8-12-20/h6,9-10,13-14,16-20,22-23,25-26H,5,7-8,11-12,15H2,1-4H3/t16-,17-,18-,19?,22+,23-,32?/m0/s1
InChIKeyIBRYJHYVIQPMNS-FBYVWCPSSA-N
XLogP4.58
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

3-ethylpentan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[methyl(prop-2-enoylcarbamoyl)amino]oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 169242670
methyl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 145307280
propan-2-yl 2-[[[5-[2,4-bis(sulfanylidene)pyrimidin-1-yl]-4-fluoro-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 144807321
ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
CID 144948822
methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 144836318
propan-2-yl (2S)-2-[[[(1R,2R,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-2-hydroxy-5-methylidenecyclopentyl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 177345570
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680452
propan-2-yl 2-[[[(E)-[5-[[(Z)-3-formamido-3-oxoprop-1-enyl]-methylamino]oxolan-2-ylidene]methoxy]-phenoxyphosphanyl]amino]propanoate
CID 144948883
propan-2-yl (2R)-2-[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-phenoxyphosphanyl]amino]propanoate
CID 168931450
ethyl 2-[[[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 90873996
cyclohexyl 2-[[methoxy(phenoxy)phosphanyl]amino]propanoate;7-(5-methyloxolan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145074534

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?
The IUPAC name of 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate (CID 169242668) is 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate.
What is the SMILES notation for 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?
The canonical SMILES for 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate is CC(OC(=O)[C@H](C)NP(OC[C@H]1O[C@@H](C)[C@H](C)[C@@H]1O)Oc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?
The InChIKey is IBRYJHYVIQPMNS-FBYVWCPSSA-N. The full InChI is InChI=1S/C24H38NO6P/c1-16-18(3)29-22(23(16)26)15-28-32(31-21-13-9-6-10-14-21)25-17(2)24(27)30-19(4)20-11-7-5-8-12-20/h6,9-10,13-14,16-20,22-23,25-26H,5,7-8,11-12,15H2,1-4H3/t16-,17-,18-,19?,22+,23-,32?/m0/s1.
What are the key properties of 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?
1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate has a molecular weight of 467.54 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl (2S)-2-[[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate is sourced from PubChem (CID 169242668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).