cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate

C14H20NO5P — CID 126605489

IUPACcyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
SMILESCOP(=O)(NCC(=O)OC1CCCC1)Oc1ccccc1
InChIInChI=1S/C14H20NO5P/c1-18-21(17,20-13-9-3-2-4-10-13)15-11-14(16)19-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,15,17)
InChIKeyPHZKVBZINJSCAQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.90
Rot. Bonds7

About cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate

cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate (PubChem CID 126605489) has the molecular formula C14H20NO5P and a molecular weight of 313.29 g/mol. Its IUPAC name is cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
PubChem CID126605489
Molecular FormulaC14H20NO5P
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Namecyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
SMILESCOP(=O)(NCC(=O)OC1CCCC1)Oc1ccccc1
InChIInChI=1S/C14H20NO5P/c1-18-21(17,20-13-9-3-2-4-10-13)15-11-14(16)19-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,15,17)
InChIKeyPHZKVBZINJSCAQ-UHFFFAOYSA-N
XLogP2.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
cycloheptyl 2-anilinoacetate
CID 61303915
cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 87153815
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
cyclohexyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835329
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
cyclohexyl 2-(benzenesulfonamido)acetate
CID 4983511
cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 59853405
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
CID 138502301
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The IUPAC name of cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate (CID 126605489) is cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate.
What is the SMILES notation for cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The canonical SMILES for cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate is COP(=O)(NCC(=O)OC1CCCC1)Oc1ccccc1.
What is the InChIKey of cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The InChIKey is PHZKVBZINJSCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO5P/c1-18-21(17,20-13-9-3-2-4-10-13)15-11-14(16)19-12-7-5-6-8-12/h2-4,9-10,12H,5-8,11H2,1H3,(H,15,17).
What are the key properties of cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate has a molecular weight of 313.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 126605489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).