benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate

C20H26N3O7P — CID 144948853

IUPACbenzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate
SMILESCOP(NC(C)C(=O)OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C20H26N3O7P/c1-14(19(25)28-12-15-6-4-3-5-7-15)22-31(27-2)29-13-16-8-9-18(30-16)23-11-10-17(24)21-20(23)26/h3-7,10-11,14,16,18,22H,8-9,12-13H2,1-2H3,(H,21,24,26)
InChIKeyIBUHVJAPYPANSW-UHFFFAOYSA-N
MW451.42 g/mol
LogP1.83
Rot. Bonds10

About benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate

benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate (PubChem CID 144948853) has the molecular formula C20H26N3O7P and a molecular weight of 451.42 g/mol. Its IUPAC name is benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate
PubChem CID144948853
Molecular FormulaC20H26N3O7P
Molecular Weight451.42 g/mol
Exact Mass451.15
IUPAC Namebenzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate
SMILESCOP(NC(C)C(=O)OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C20H26N3O7P/c1-14(19(25)28-12-15-6-4-3-5-7-15)22-31(27-2)29-13-16-8-9-18(30-16)23-11-10-17(24)21-20(23)26/h3-7,10-11,14,16,18,22H,8-9,12-13H2,1-2H3,(H,21,24,26)
InChIKeyIBUHVJAPYPANSW-UHFFFAOYSA-N
XLogP1.83
TPSA120.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphanyl]amino]propanoate
CID 144948788
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
benzyl [2-[(3,4-dimethylphenyl)methoxy]-3-methoxypropyl] [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphite
CID 171528895
propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 144592417
[4-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl]phenyl] acetate
CID 166712934
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123274202
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
CID 172580603
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 59278885
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate?
The IUPAC name of benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate (CID 144948853) is benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate.
What is the SMILES notation for benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate?
The canonical SMILES for benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate is COP(NC(C)C(=O)OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate?
The InChIKey is IBUHVJAPYPANSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N3O7P/c1-14(19(25)28-12-15-6-4-3-5-7-15)22-31(27-2)29-13-16-8-9-18(30-16)23-11-10-17(24)21-20(23)26/h3-7,10-11,14,16,18,22H,8-9,12-13H2,1-2H3,(H,21,24,26).
What are the key properties of benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate?
benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate has a molecular weight of 451.42 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]amino]propanoate is sourced from PubChem (CID 144948853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).