methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

C13H18NO7P — CID 2734718

IUPACmethyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
SMILESCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)
InChIKeyGSYSFVSGPABNNL-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate (PubChem CID 2734718) has the molecular formula C13H18NO7P and a molecular weight of 331.26 g/mol. Its IUPAC name is methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
PubChem CID2734718
Molecular FormulaC13H18NO7P
Molecular Weight331.26 g/mol
Exact Mass331.08
IUPAC Namemethyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
SMILESCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)
InChIKeyGSYSFVSGPABNNL-UHFFFAOYSA-N
XLogP1.90
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.90
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

benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-(1-dimethoxyphosphoryl-2-oxobutyl)carbamate
CID 59913356
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
benzyl N-[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 54326340
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
CID 102392968
methyl (2S,3R)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(phenylmethoxycarbonylamino)butanoate
CID 162415252
benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229
4-O-benzyl 1-O-methyl 2-dimethoxyphosphorylbutanedioate
CID 58153523
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
CID 134104684

Frequently Asked Questions

What is the IUPAC name of methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate (CID 2734718) is methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate is COC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is GSYSFVSGPABNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 331.26 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 2734718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).