cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate

C17H26NO4P — CID 170067038

IUPACcyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccccc1
InChIInChI=1S/C17H26NO4P/c1-3-23(20,22-16-12-8-5-9-13-16)18-14(2)17(19)21-15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3,(H,18,20)/t14-,23?/m0/s1
InChIKeyDIMIIMFYBAGRGB-JRQMZCAUSA-N
MW339.37 g/mol
LogP4.13
Rot. Bonds7

About cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate

cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate (PubChem CID 170067038) has the molecular formula C17H26NO4P and a molecular weight of 339.37 g/mol. Its IUPAC name is cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
PubChem CID170067038
Molecular FormulaC17H26NO4P
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Namecyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccccc1
InChIInChI=1S/C17H26NO4P/c1-3-23(20,22-16-12-8-5-9-13-16)18-14(2)17(19)21-15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3,(H,18,20)/t14-,23?/m0/s1
InChIKeyDIMIIMFYBAGRGB-JRQMZCAUSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 59853405
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
cyclohexyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835329
cyclobutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;cyclobutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;cyclobutyl (2S)-2-[[phenoxy-(2,3,4,6-tetrafluoro-5-methylphenoxy)phosphoryl]amino]propanoate
CID 161485657
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
cyclohexyl 2-(2-ethylanilino)propanoate
CID 70524306
cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
CID 90251497
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate (CID 170067038) is cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate is CCP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccccc1.
What is the InChIKey of cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is DIMIIMFYBAGRGB-JRQMZCAUSA-N. The full InChI is InChI=1S/C17H26NO4P/c1-3-23(20,22-16-12-8-5-9-13-16)18-14(2)17(19)21-15-10-6-4-7-11-15/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3,(H,18,20)/t14-,23?/m0/s1.
What are the key properties of cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 339.37 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 170067038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).