methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate

C17H19N2O4P — CID 164662650

IUPACmethyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O4P/c1-23-17(21)13-18-12-16(20)19-24(22,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,18H,12-13H2,1H3,(H,19,20,22)
InChIKeyFKVJLHIUMVARIW-UHFFFAOYSA-N
MW346.32 g/mol
LogP0.79
Rot. Bonds7

About methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate

methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate (PubChem CID 164662650) has the molecular formula C17H19N2O4P and a molecular weight of 346.32 g/mol. Its IUPAC name is methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate
PubChem CID164662650
Molecular FormulaC17H19N2O4P
Molecular Weight346.32 g/mol
Exact Mass346.11
IUPAC Namemethyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O4P/c1-23-17(21)13-18-12-16(20)19-24(22,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,18H,12-13H2,1H3,(H,19,20,22)
InChIKeyFKVJLHIUMVARIW-UHFFFAOYSA-N
XLogP0.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
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diphenylphosphorylbenzene;methyl N-(methoxycarbonylamino)carbamate
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methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
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[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid
CID 22764519
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
methyl 3-diphenylphosphoryl-3-phenylpropanoate
CID 139256756
methyl (3R)-3-diphenylphosphoryl-3-phenylpropanoate
CID 102493910
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CID 60687550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate (CID 164662650) is methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate is COC(=O)CNCC(=O)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate?
The InChIKey is FKVJLHIUMVARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O4P/c1-23-17(21)13-18-12-16(20)19-24(22,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,18H,12-13H2,1H3,(H,19,20,22).
What are the key properties of methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate?
methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate has a molecular weight of 346.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diphenylphosphorylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 164662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).