propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate

C21H25N2O6P — CID 130290259

IUPACpropan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N2O6P/c1-15(2)28-20(24)16(3)22-30(26,29-18-12-8-5-9-13-18)23-19(14-27-21(23)25)17-10-6-4-7-11-17/h4-13,15-16,19H,14H2,1-3H3,(H,22,26)/t16?,19-,30?/m1/s1
InChIKeyQWBKFDDLJKJKEZ-HRKAWNHXSA-N
MW432.41 g/mol
LogP4.30
Rot. Bonds8

About propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate

propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate (PubChem CID 130290259) has the molecular formula C21H25N2O6P and a molecular weight of 432.41 g/mol. Its IUPAC name is propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate
PubChem CID130290259
Molecular FormulaC21H25N2O6P
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Namepropan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N2O6P/c1-15(2)28-20(24)16(3)22-30(26,29-18-12-8-5-9-13-18)23-19(14-27-21(23)25)17-10-6-4-7-11-17/h4-13,15-16,19H,14H2,1-3H3,(H,22,26)/t16?,19-,30?/m1/s1
InChIKeyQWBKFDDLJKJKEZ-HRKAWNHXSA-N
XLogP4.30
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate (CID 130290259) is propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate?
The InChIKey is QWBKFDDLJKJKEZ-HRKAWNHXSA-N. The full InChI is InChI=1S/C21H25N2O6P/c1-15(2)28-20(24)16(3)22-30(26,29-18-12-8-5-9-13-18)23-19(14-27-21(23)25)17-10-6-4-7-11-17/h4-13,15-16,19H,14H2,1-3H3,(H,22,26)/t16?,19-,30?/m1/s1.
What are the key properties of propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate?
propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate has a molecular weight of 432.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 130290259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).