[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid

C10H14NO7P — CID 22764519

IUPAC[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid
SMILESCOC(=O)CNC(O)(Oc1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H14NO7P/c1-17-9(12)7-11-10(13,19(14,15)16)18-8-5-3-2-4-6-8/h2-6,11,13H,7H2,1H3,(H2,14,15,16)
InChIKeyURGSSPYGGCNTLT-UHFFFAOYSA-N
MW291.20 g/mol
LogP-0.39
Rot. Bonds6

About [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid

[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid (PubChem CID 22764519) has the molecular formula C10H14NO7P and a molecular weight of 291.20 g/mol. Its IUPAC name is [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid
PubChem CID22764519
Molecular FormulaC10H14NO7P
Molecular Weight291.20 g/mol
Exact Mass291.05
IUPAC Name[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid
SMILESCOC(=O)CNC(O)(Oc1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H14NO7P/c1-17-9(12)7-11-10(13,19(14,15)16)18-8-5-3-2-4-6-8/h2-6,11,13H,7H2,1H3,(H2,14,15,16)
InChIKeyURGSSPYGGCNTLT-UHFFFAOYSA-N
XLogP-0.39
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[hydroxy-[(2-methoxy-2-oxoethyl)amino]-[3-(trifluoromethyl)phenoxy]methyl]phosphonic acid
CID 70628025
methyl 2-(tritylamino)acetate
CID 637611
2-[[bis(4-methoxyphenoxy)-phosphonomethyl]amino]acetic acid
CID 22764506
N-(5-methoxy-2,5-dioxopentyl)-phenoxyphosphonamidic acid
CID 122698874
methyl 2-hydroxy-2-phenoxypropanoate
CID 67592988
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate
CID 164662650
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
CID 156565005
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid?
The IUPAC name of [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid (CID 22764519) is [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid.
What is the SMILES notation for [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid?
The canonical SMILES for [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid is COC(=O)CNC(O)(Oc1ccccc1)P(=O)(O)O.
What is the InChIKey of [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid?
The InChIKey is URGSSPYGGCNTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO7P/c1-17-9(12)7-11-10(13,19(14,15)16)18-8-5-3-2-4-6-8/h2-6,11,13H,7H2,1H3,(H2,14,15,16).
What are the key properties of [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid?
[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid has a molecular weight of 291.20 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid is sourced from PubChem (CID 22764519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).