propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

C21H28N3O7P — CID 142289099

IUPACpropyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCCCOC(=O)CNP(OCC1CC(C)C(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1
InChIInChI=1S/C21H28N3O7P/c1-3-11-28-19(26)13-22-32(31-16-7-5-4-6-8-16)29-14-17-12-15(2)20(30-17)24-10-9-18(25)23-21(24)27/h4-10,15,17,20,22H,3,11-14H2,1-2H3,(H,23,25,27)
InChIKeyDHQBPTMVVQMGSX-UHFFFAOYSA-N
MW465.44 g/mol
LogP2.33
Rot. Bonds11

About propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (PubChem CID 142289099) has the molecular formula C21H28N3O7P and a molecular weight of 465.44 g/mol. Its IUPAC name is propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
PubChem CID142289099
Molecular FormulaC21H28N3O7P
Molecular Weight465.44 g/mol
Exact Mass465.17
IUPAC Namepropyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCCCOC(=O)CNP(OCC1CC(C)C(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1
InChIInChI=1S/C21H28N3O7P/c1-3-11-28-19(26)13-22-32(31-16-7-5-4-6-8-16)29-14-17-12-15(2)20(30-17)24-10-9-18(25)23-21(24)27/h4-10,15,17,20,22H,3,11-14H2,1-2H3,(H,23,25,27)
InChIKeyDHQBPTMVVQMGSX-UHFFFAOYSA-N
XLogP2.33
TPSA120.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate with MolForge

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Related Compounds

2-methylpropanoic acid;propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144610358
propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate
CID 134425292
propan-2-yl (2S)-2-[[[4-(4-chlorophenyl)phenoxy]-[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy]phosphanyl]amino]propanoate
CID 130461997
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
propan-2-yl (2S)-2-[[[4-(4-chloro-2-fluorophenyl)phenoxy]-[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy]phosphanyl]amino]propanoate
CID 144695181
propan-2-yl (2S)-2-[[[(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90401125
2-propylpentyl (2S)-2-[[[(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 70914790
2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetaldehyde
CID 171568504
benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123274202
ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 144654171
2,2-dimethylpropyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123677216
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy thiohypoiodite;ethane;methane
CID 144654228

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The IUPAC name of propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (CID 142289099) is propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.
What is the SMILES notation for propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The canonical SMILES for propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is CCCOC(=O)CNP(OCC1CC(C)C(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1.
What is the InChIKey of propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The InChIKey is DHQBPTMVVQMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N3O7P/c1-3-11-28-19(26)13-22-32(31-16-7-5-4-6-8-16)29-14-17-12-15(2)20(30-17)24-10-9-18(25)23-21(24)27/h4-10,15,17,20,22H,3,11-14H2,1-2H3,(H,23,25,27).
What are the key properties of propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate has a molecular weight of 465.44 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is sourced from PubChem (CID 142289099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).