azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate

C5H13N2O5P — CID 139078118

IUPACazanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
SMILESC[C@@H]1CN(CP(=O)([O-])O)C(=O)O1.[NH4+]
InChIInChI=1S/C5H10NO5P.H3N/c1-4-2-6(5(7)11-4)3-12(8,9)10;/h4H,2-3H2,1H3,(H2,8,9,10);1H3/t4-;/m1./s1
InChIKeyXBTNEFZRXAUQDN-PGMHMLKASA-N
MW212.14 g/mol
LogP-0.29
Rot. Bonds2

About azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate

azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate (PubChem CID 139078118) has the molecular formula C5H13N2O5P and a molecular weight of 212.14 g/mol. Its IUPAC name is azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate.

Molecular Properties

Compound Nameazanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
PubChem CID139078118
Molecular FormulaC5H13N2O5P
Molecular Weight212.14 g/mol
Exact Mass212.06
IUPAC Nameazanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
SMILESC[C@@H]1CN(CP(=O)([O-])O)C(=O)O1.[NH4+]
InChIInChI=1S/C5H10NO5P.H3N/c1-4-2-6(5(7)11-4)3-12(8,9)10;/h4H,2-3H2,1H3,(H2,8,9,10);1H3/t4-;/m1./s1
InChIKeyXBTNEFZRXAUQDN-PGMHMLKASA-N
XLogP-0.29
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
CID 19437330
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one
CID 59986951
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)butyl]-1,3-oxazolidin-2-one
CID 59986965
5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
CID 142150294
(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772
(5S)-5-methyl-3-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pent-3-enyl]-1,3-oxazolidin-2-one
CID 59986935
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591685
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173617

Frequently Asked Questions

What is the IUPAC name of azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate?
The IUPAC name of azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate (CID 139078118) is azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate.
What is the SMILES notation for azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate?
The canonical SMILES for azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate is C[C@@H]1CN(CP(=O)([O-])O)C(=O)O1.[NH4+].
What is the InChIKey of azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate?
The InChIKey is XBTNEFZRXAUQDN-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10NO5P.H3N/c1-4-2-6(5(7)11-4)3-12(8,9)10;/h4H,2-3H2,1H3,(H2,8,9,10);1H3/t4-;/m1./s1.
What are the key properties of azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate?
azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate has a molecular weight of 212.14 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate is sourced from PubChem (CID 139078118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).