[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate

C17H26NO4P — CID 175877053

IUPAC[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate
SMILESC[C@H](NPOc1ccc(C(C)(C)C)cc1)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C17H26NO4P/c1-12(16(19)21-15-9-10-20-11-15)18-23-22-14-7-5-13(6-8-14)17(2,3)4/h5-8,12,15,18,23H,9-11H2,1-4H3/t12-,15-/m0/s1
InChIKeyWFUBRMDKJCSEGV-WFASDCNBSA-N
MW339.37 g/mol
LogP3.18
Rot. Bonds6

About [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate

[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate (PubChem CID 175877053) has the molecular formula C17H26NO4P and a molecular weight of 339.37 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate
PubChem CID175877053
Molecular FormulaC17H26NO4P
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate
SMILESC[C@H](NPOc1ccc(C(C)(C)C)cc1)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C17H26NO4P/c1-12(16(19)21-15-9-10-20-11-15)18-23-22-14-7-5-13(6-8-14)17(2,3)4/h5-8,12,15,18,23H,9-11H2,1-4H3/t12-,15-/m0/s1
InChIKeyWFUBRMDKJCSEGV-WFASDCNBSA-N
XLogP3.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.18
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

propan-2-yl (2S)-2-[[[4-(1-methylcyclopropyl)phenoxy]-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 139474395
(2-methoxy-2-methylpropyl) (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 163954467
cyclohexyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166913756
Oxolan-3-yl 2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]acetate
CID 166913777
2-methoxypropyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166913826
2-Methoxypropyl 2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]acetate
CID 166913830
propyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166913952
cyclobutyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166914053
3,3-dimethylpentyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166914088
ethyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166914130
2-(2-ethoxyethoxy)ethyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166914240
2-methylpropyl (2S)-2-[[(4-tert-butylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 166914276

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate?
The IUPAC name of [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate (CID 175877053) is [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate.
What is the SMILES notation for [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate?
The canonical SMILES for [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate is C[C@H](NPOc1ccc(C(C)(C)C)cc1)C(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate?
The InChIKey is WFUBRMDKJCSEGV-WFASDCNBSA-N. The full InChI is InChI=1S/C17H26NO4P/c1-12(16(19)21-15-9-10-20-11-15)18-23-22-14-7-5-13(6-8-14)17(2,3)4/h5-8,12,15,18,23H,9-11H2,1-4H3/t12-,15-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate?
[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate has a molecular weight of 339.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate is sourced from PubChem (CID 175877053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).