methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate

C15H23N2O6P — CID 129125500

IUPACmethyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCOC(=O)C(C)NP(=O)(OCC1CCC(N)O1)Oc1ccccc1
InChIInChI=1S/C15H23N2O6P/c1-11(15(18)20-2)17-24(19,23-12-6-4-3-5-7-12)21-10-13-8-9-14(16)22-13/h3-7,11,13-14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyINFOECCFCNXNAZ-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.80
Rot. Bonds8

About methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate

methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 129125500) has the molecular formula C15H23N2O6P and a molecular weight of 358.33 g/mol. Its IUPAC name is methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID129125500
Molecular FormulaC15H23N2O6P
Molecular Weight358.33 g/mol
Exact Mass358.13
IUPAC Namemethyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCOC(=O)C(C)NP(=O)(OCC1CCC(N)O1)Oc1ccccc1
InChIInChI=1S/C15H23N2O6P/c1-11(15(18)20-2)17-24(19,23-12-6-4-3-5-7-12)21-10-13-8-9-14(16)22-13/h3-7,11,13-14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyINFOECCFCNXNAZ-UHFFFAOYSA-N
XLogP1.80
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 129148836
propan-2-yl (2S)-2-[[[(2S,4R,5S)-4-fluoro-4,5-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90380623
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 2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
CID 6916320
CID 123713089
CID 123713089
propan-2-yl 2-[[[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 144852781
cyclobutyl 2-[[[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 166862518
methyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 155679792
3-[[ethoxy(phenoxy)phosphoryl]amino]butan-2-one
CID 123983388
benzyl (2S)-2-[[[(5R)-5-(6-amino-4,5-dihydropurin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 163500042
benzyl (2S)-2-[[[(2S,5R)-5-[(6-aminopurin-9-yl)methyl]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methanol
CID 167691457

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate (CID 129125500) is methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate is COC(=O)C(C)NP(=O)(OCC1CCC(N)O1)Oc1ccccc1.
What is the InChIKey of methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is INFOECCFCNXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O6P/c1-11(15(18)20-2)17-24(19,23-12-6-4-3-5-7-12)21-10-13-8-9-14(16)22-13/h3-7,11,13-14H,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate?
methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 358.33 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 129125500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).