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

C10H18NO7P — CID 129218798

IUPACmethyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1OP(=O)(O)OCC1(C)C
InChIInChI=1S/C10H18NO7P/c1-10(2)6-17-19(14,15)18-8(10)9(13)11-5-4-7(12)16-3/h8H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyDJQQNNHJRVMUTG-QMMMGPOBSA-N
MW295.23 g/mol
LogP0.21
Rot. Bonds4

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

methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate (PubChem CID 129218798) has the molecular formula C10H18NO7P and a molecular weight of 295.23 g/mol. Its IUPAC name is methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
PubChem CID129218798
Molecular FormulaC10H18NO7P
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Namemethyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@@H]1OP(=O)(O)OCC1(C)C
InChIInChI=1S/C10H18NO7P/c1-10(2)6-17-19(14,15)18-8(10)9(13)11-5-4-7(12)16-3/h8H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyDJQQNNHJRVMUTG-QMMMGPOBSA-N
XLogP0.21
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate (CID 129218798) is methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@@H]1OP(=O)(O)OCC1(C)C.
What is the InChIKey of methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
The InChIKey is DJQQNNHJRVMUTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18NO7P/c1-10(2)6-17-19(14,15)18-8(10)9(13)11-5-4-7(12)16-3/h8H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate?
methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate has a molecular weight of 295.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4R)-2-hydroxy-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinane-4-carbonyl]amino]propanoate is sourced from PubChem (CID 129218798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).