2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid

C11H14NO6P — CID 88709753

IUPAC2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid
SMILESCOP(=O)(CN(C=O)CC(=O)O)Oc1ccccc1
InChIInChI=1S/C11H14NO6P/c1-17-19(16,9-12(8-13)7-11(14)15)18-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyLDNPYEMCLUWEQN-UHFFFAOYSA-N
MW287.21 g/mol
LogP1.41
Rot. Bonds8

About 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid

2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid (PubChem CID 88709753) has the molecular formula C11H14NO6P and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid
PubChem CID88709753
Molecular FormulaC11H14NO6P
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid
SMILESCOP(=O)(CN(C=O)CC(=O)O)Oc1ccccc1
InChIInChI=1S/C11H14NO6P/c1-17-19(16,9-12(8-13)7-11(14)15)18-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyLDNPYEMCLUWEQN-UHFFFAOYSA-N
XLogP1.41
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate
CID 88710449
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
ethyl (2E)-2-[[diphenoxyphosphorylmethyl-(2-ethoxy-2-oxoethyl)amino]methylidene]-3-oxobutanoate
CID 13309586
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
2-(diphenoxyphosphorylmethyl)butanedioic acid
CID 58818769
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
2-[formyl(phenylmethoxy)amino]-4-[methoxy-(4-methylphenoxy)phosphoryl]butanoic acid
CID 90804572
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
2-[bis(diphenoxyphosphoryl)methyl-nitrosoamino]acetic acid
CID 20545708

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid?
The IUPAC name of 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid (CID 88709753) is 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid?
The canonical SMILES for 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid is COP(=O)(CN(C=O)CC(=O)O)Oc1ccccc1.
What is the InChIKey of 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid?
The InChIKey is LDNPYEMCLUWEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO6P/c1-17-19(16,9-12(8-13)7-11(14)15)18-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15).
What are the key properties of 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid?
2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid has a molecular weight of 287.21 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid is sourced from PubChem (CID 88709753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).