propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate

C15H22NO7P — CID 138502301

IUPACpropyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
SMILESCCCOC(=O)CNP(=O)(OCC1OCCO1)Oc1ccccc1
InChIInChI=1S/C15H22NO7P/c1-2-8-19-14(17)11-16-24(18,22-12-15-20-9-10-21-15)23-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,18)
InChIKeyBBOZHBDEHULIEZ-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.11
Rot. Bonds10

About propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate

propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate (PubChem CID 138502301) has the molecular formula C15H22NO7P and a molecular weight of 359.32 g/mol. Its IUPAC name is propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
PubChem CID138502301
Molecular FormulaC15H22NO7P
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC Namepropyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
SMILESCCCOC(=O)CNP(=O)(OCC1OCCO1)Oc1ccccc1
InChIInChI=1S/C15H22NO7P/c1-2-8-19-14(17)11-16-24(18,22-12-15-20-9-10-21-15)23-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,18)
InChIKeyBBOZHBDEHULIEZ-UHFFFAOYSA-N
XLogP2.11
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
CID 169218939
butyl 2-[[[5-[(3-amino-3-hydroxypropylidene)amino]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]acetate
CID 123588234
ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
CID 156841904
2-methylpropyl 2-[[[5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]acetate
CID 164541193
[(2R)-butan-2-yl] (2S)-2-[[(4-bromophenoxy)-(1,3-dioxolan-2-ylmethoxy)phosphoryl]amino]propanoate
CID 130437779
cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 126605489
ethane;2-ethylbutyl 2-[[[5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]acetate
CID 176945066
methyl (2S)-2-[[[(2R)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 129148836
ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
ethyl 2-[[3-(methylamino)propyl-phenoxyphosphoryl]amino]acetate
CID 71216005
ethyl 2-[[[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy-(4-methoxyphenoxy)phosphoryl]amino]acetate
CID 25108409

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate?
The IUPAC name of propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate (CID 138502301) is propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate.
What is the SMILES notation for propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate?
The canonical SMILES for propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate is CCCOC(=O)CNP(=O)(OCC1OCCO1)Oc1ccccc1.
What is the InChIKey of propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate?
The InChIKey is BBOZHBDEHULIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO7P/c1-2-8-19-14(17)11-16-24(18,22-12-15-20-9-10-21-15)23-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3,(H,16,18).
What are the key properties of propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate?
propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate has a molecular weight of 359.32 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 138502301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).