[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium

C8H14N2O5P+ — CID 123965269

IUPAC[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESC=CN(C(N)=O)[C@H]1CC[C@@H](CO[P+](=O)O)O1
InChIInChI=1S/C8H13N2O5P/c1-2-10(8(9)11)7-4-3-6(15-7)5-14-16(12)13/h2,6-7H,1,3-5H2,(H2-,9,11,12,13)/p+1/t6-,7+/m0/s1
InChIKeyQZHHGFRQSCFLFU-NKWVEPMBSA-O
MW249.18 g/mol
LogP0.68
Rot. Bonds5

About [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium

[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 123965269) has the molecular formula C8H14N2O5P+ and a molecular weight of 249.18 g/mol. Its IUPAC name is [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium
PubChem CID123965269
Molecular FormulaC8H14N2O5P+
Molecular Weight249.18 g/mol
Exact Mass249.06
IUPAC Name[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESC=CN(C(N)=O)[C@H]1CC[C@@H](CO[P+](=O)O)O1
InChIInChI=1S/C8H13N2O5P/c1-2-10(8(9)11)7-4-3-6(15-7)5-14-16(12)13/h2,6-7H,1,3-5H2,(H2-,9,11,12,13)/p+1/t6-,7+/m0/s1
InChIKeyQZHHGFRQSCFLFU-NKWVEPMBSA-O
XLogP0.68
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium (CID 123965269) is [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium is C=CN(C(N)=O)[C@H]1CC[C@@H](CO[P+](=O)O)O1.
What is the InChIKey of [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The InChIKey is QZHHGFRQSCFLFU-NKWVEPMBSA-O. The full InChI is InChI=1S/C8H13N2O5P/c1-2-10(8(9)11)7-4-3-6(15-7)5-14-16(12)13/h2,6-7H,1,3-5H2,(H2-,9,11,12,13)/p+1/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
[(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 249.18 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[carbamoyl(ethenyl)amino]oxolan-2-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 123965269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).