methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C15H22NO7P — CID 129148836

IUPACmethyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCOC(=O)[C@H](C)NP(=O)(OC[C@H]1OCCC1O)Oc1ccccc1
InChIInChI=1S/C15H22NO7P/c1-11(15(18)20-2)16-24(19,23-12-6-4-3-5-7-12)22-10-14-13(17)8-9-21-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,16,19)/t11-,13?,14+,24?/m0/s1
InChIKeyHMVUYMSHJBWPNR-YVSRFMJNSA-N
MW359.32 g/mol
LogP1.49
Rot. Bonds8

About methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 129148836) has the molecular formula C15H22NO7P and a molecular weight of 359.32 g/mol. Its IUPAC name is methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID129148836
Molecular FormulaC15H22NO7P
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC Namemethyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCOC(=O)[C@H](C)NP(=O)(OC[C@H]1OCCC1O)Oc1ccccc1
InChIInChI=1S/C15H22NO7P/c1-11(15(18)20-2)16-24(19,23-12-6-4-3-5-7-12)22-10-14-13(17)8-9-21-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,16,19)/t11-,13?,14+,24?/m0/s1
InChIKeyHMVUYMSHJBWPNR-YVSRFMJNSA-N
XLogP1.49
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
CID 129125500
CID 123713089
CID 123713089
[(3R,4S)-3,4-dihydroxy-5-[[[(1-methoxy-1-oxopropan-2-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl] pyridine-3-carboxylate
CID 169177181
[(3R,4S,5R)-3,4-dihydroxy-5-[[[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl] pyridine-3-carboxylate
CID 169044721
methyl 2-[[[(3R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 59847729
methyl 2-[[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 20662332
methyl (2S)-2-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-imino-2-oxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 146237741
3-[[ethoxy(phenoxy)phosphoryl]amino]butan-2-one
CID 123983388
propan-2-yl (2S)-2-[[[(2S)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 156824491
methyl 2-[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;trifluoromethanesulfonate
CID 138470204
(2R,3R,4R)-4-bromo-4-fluoro-2-[[phenoxy-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-3-ol
CID 161270448
methyl (2S)-2-[[[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-phenoxyphosphoryl]amino]propanoate
CID 73351994

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 129148836) is methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is COC(=O)[C@H](C)NP(=O)(OC[C@H]1OCCC1O)Oc1ccccc1.
What is the InChIKey of methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is HMVUYMSHJBWPNR-YVSRFMJNSA-N. The full InChI is InChI=1S/C15H22NO7P/c1-11(15(18)20-2)16-24(19,23-12-6-4-3-5-7-12)22-10-14-13(17)8-9-21-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,16,19)/t11-,13?,14+,24?/m0/s1.
What are the key properties of methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 359.32 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 129148836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).