methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate

C14H25N2O7P — CID 129218260

IUPACmethyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1O[P@](=O)(N2CCOCC2)OCC1(C)C
InChIInChI=1S/C14H25N2O7P/c1-14(2)10-22-24(19,16-6-8-21-9-7-16)23-12(14)13(18)15-5-4-11(17)20-3/h12H,4-10H2,1-3H3,(H,15,18)/t12-,24-/m0/s1
InChIKeyLFOWNRWEYVXAAI-MCFWBGNESA-N
MW364.34 g/mol
LogP0.55
Rot. Bonds5

About methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate

methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate (PubChem CID 129218260) has the molecular formula C14H25N2O7P and a molecular weight of 364.34 g/mol. Its IUPAC name is methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
PubChem CID129218260
Molecular FormulaC14H25N2O7P
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Namemethyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1O[P@](=O)(N2CCOCC2)OCC1(C)C
InChIInChI=1S/C14H25N2O7P/c1-14(2)10-22-24(19,16-6-8-21-9-7-16)23-12(14)13(18)15-5-4-11(17)20-3/h12H,4-10H2,1-3H3,(H,15,18)/t12-,24-/m0/s1
InChIKeyLFOWNRWEYVXAAI-MCFWBGNESA-N
XLogP0.55
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate (CID 129218260) is methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@@H]1O[P@](=O)(N2CCOCC2)OCC1(C)C.
What is the InChIKey of methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The InChIKey is LFOWNRWEYVXAAI-MCFWBGNESA-N. The full InChI is InChI=1S/C14H25N2O7P/c1-14(2)10-22-24(19,16-6-8-21-9-7-16)23-12(14)13(18)15-5-4-11(17)20-3/h12H,4-10H2,1-3H3,(H,15,18)/t12-,24-/m0/s1.
What are the key properties of methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate has a molecular weight of 364.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S,4R)-5,5-dimethyl-2-morpholin-4-yl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate is sourced from PubChem (CID 129218260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).