tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate

C15H24NO5P — CID 122225403

IUPACtert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
SMILESCOP(=O)(OC)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24NO5P/c1-14(2,3)21-13(17)16-15(4,22(18,19-5)20-6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,16,17)/t15-/m1/s1
InChIKeyWMTDGWQKLMQVGU-OAHLLOKOSA-N
MW329.33 g/mol
LogP3.87
Rot. Bonds5

About tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate

tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate (PubChem CID 122225403) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
PubChem CID122225403
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Nametert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
SMILESCOP(=O)(OC)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24NO5P/c1-14(2,3)21-13(17)16-15(4,22(18,19-5)20-6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,16,17)/t15-/m1/s1
InChIKeyWMTDGWQKLMQVGU-OAHLLOKOSA-N
XLogP3.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
CID 74763188
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-diphenylphosphoryloxycarbamate
CID 139070667
(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-2-phenylpropanoic acid
CID 125456016
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
methyl N-[(1S)-2,2,2-trichloro-1-methoxy-1-phenylethyl]carbamate
CID 842026
tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
CID 69174431
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate (CID 122225403) is tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate is COP(=O)(OC)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate?
The InChIKey is WMTDGWQKLMQVGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-14(2,3)21-13(17)16-15(4,22(18,19-5)20-6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,16,17)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate?
tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate has a molecular weight of 329.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate is sourced from PubChem (CID 122225403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).